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Systematic Name, Synonym, Trade Name,
Registry Number, SMILES or InChI

Information

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Single/Multi-component Search Any Search Single-Component Structures Only Search Multi-Component Structures Only	Isotopically Labeled Search Any Search Isotopically Labeled Structures Only Disregard Isotopically Labeled Structures
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15 hits found in 0.14 seconds.
Search terms: XBDQKXXYIPTUBI
Found by InChIKey (skeleton match)

GridTileTableRecordChemReferEntrezPubChem

ID

Structure

Empirical Formula

Molecular Weight

Monoisotopic Mass, Da

LogP

ACD/LogD (pH 5.5)

ACD/LogD (pH 7.4)

InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i1+1,2+1

C¹³C₂H₆O₂

76.0638

76.043489

InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i2D2/hD

C₃H₃D₃O₂

77.097

77.05561

ACD/LogP:

0.25

InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i2+1,3+1

C¹³C₂H₆O₂

76.0638

76.043489

InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)

C₃H₆O₂

74.0785

74.036779

ACD/LogP:	0.25
XLogP:	0.20
ALOGPS:	0.31

-0.54

-2.33

InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i1-1

C₂¹¹CH₆O₂

73.0793

73.048212

XLogP:

0.20

InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i1D3,2D2/hD

C₃D₆O₂

80.1155

80.07444

ACD/LogP:	0.25
XLogP:	0.20

-0.54

-2.33

InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/p-1

C₃H₅O₂

73.0711

73.029503

ACD/LogP:

0.25

-0.54

-2.33

InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i2D2

C₃H₄D₂O₂

76.0909

76.049333

ACD/LogP:

0.25

InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i1+1D3

C₂¹³CH₃D₃O₂

78.0897

78.058964

XLogP:

0.20

InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i3+1

C₂¹³CH₆O₂

75.0712

75.040134

InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i1+1,2+1,3+1

¹³C₃H₆O₂

77.0565

77.046844

XLogP:

0.20

InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i1T

C₃H₅TO₂

76.0866

76.045004

ACD/LogP:	0.25
XLogP:	0.20

-0.54

-2.33

InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/p+1

C₃H₇O₂

75.0859

75.044056

InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i1D3

C₃H₃D₃O₂

77.097

77.05561

ACD/LogP:	0.25
XLogP:	0.20

-0.54

-2.33

InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i1+1

C₂¹³CH₆O₂

75.0712

75.040134

XLogP:

0.20