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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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4 hits found in 0.09 seconds.
Search terms: JZKXXXDKRQWDET
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/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)

C₉H₁₁NO₃

181.1885

181.073893

ACD/LogP:	0.38
XLogP:	-1.80
ALOGPS:	-2.34

-2.12

-2.13

InChI=1/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1

C₉H₁₁NO₃

181.1885

181.073893

ACD/LogP:	0.38
XLogP:	-1.80

InChI=1/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1

C₉H₁₁NO₃

181.1885

181.073893

ACD/LogP:	0.38
XLogP:	-1.80

InChI=1/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/p-1

C₉H₁₀NO₃

180.1811

180.066617

ACD/LogP:

0.38