CAS 10131-14-3 | 1H-Indole-2-carboxylic acid, 5,6-dihydroxy-, methyl ester | CAS Number 10131-14-3

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10131-14-3 | 1H-Indole-2-carboxylic acid, 5,6-dihydroxy-, methyl ester

CAS No: 10131-14-3 Catalog No: AG00047J MDL No:

Product Description

Catalog Number:

AG00047J

Chemical Name:

1H-Indole-2-carboxylic acid, 5,6-dihydroxy-, methyl ester

CAS Number:

10131-14-3

Molecular Formula:

C10H9NO4

Molecular Weight:

207.1828

IUPAC Name:

methyl 5,6-dihydroxy-1H-indole-2-carboxylate

InChI:

InChI=1S/C10H9NO4/c1-15-10(14)7-2-5-3-8(12)9(13)4-6(5)11-7/h2-4,11-13H,1H3

InChI Key:

LMQPTBZVHDIVKT-UHFFFAOYSA-N

SMILES:

COC(=O)c1[nH]c2c(c1)cc(c(c2)O)O

Properties

Complexity:

258

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

207.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

207.185g/mol

Monoisotopic Mass:

207.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
Inactivation of tautomerase activity of macrophage migration inhibitory factor by sulforaphane: a potential biomarker for anti-inflammatory intervention.	Cancer epidemiology, biomarkers & prevention : a publication of the American Association for Cancer Research, cosponsored by the American Society of Preventive Oncology 20110701