Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 38 results

Search term: MTCFGRXMJLQNBG (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5736


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
C3H7NO3105.092616336772681293858
597


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)
C3H7NO3105.0926161706681283775
64231

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1
C3H7NO3105.09261439511714345
118192

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1/i3+1
C213CH7NO3106.0852141700
21169756

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1/i4+1
C3H715NO3106.086121400
24533058

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/i1D2,2D
C3H4D3NO3108.111191117
21170332

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/i3+1
C213CH7NO3106.085281100
32817095

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1/i2+1
C213CH7NO3106.085281000
48061347

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1/i1+1,2+1,3+1,4+1
13C3H715NO3109.0648900
49071248

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1/i2+1,3+1
C13C2H7NO3107.077981000
17341033

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1/i2+1,4+1
C213CH715NO3107.078681000
8972020

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1/i1+1
C213CH7NO3106.08527900
48061394

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1/i1+1,2+1,3+1
13C3H7NO3108.07057800
8527113

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1/i2D
C3H6DNO3106.09876600
49071442

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/i4+1
C3H715NO3106.0865600
2645702

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p+1
C3H8NO3106.14600
24533063

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1/i1D2,2D
C3H4D3NO3108.11114502
49071374

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/i1+1
C213CH7NO3106.08523400
49071398

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1/i1+1,2+1
C13C2H7NO3107.07793400
4574237

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p-1
C3H6NO3104.08523300
12

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