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1227269-42-2 | 1H-Indole-6-carboxylic acid, 5-cyano-
CAS No: 1227269-42-2 Catalog No: AG000J60 MDL No:
Product Description
Catalog Number:
AG000J60
Chemical Name:
1H-Indole-6-carboxylic acid, 5-cyano-
CAS Number:
1227269-42-2
Molecular Formula:
C10H6N2O2
Molecular Weight:
186.1668
IUPAC Name:
5-cyano-1H-indole-6-carboxylic acid
InChI:
InChI=1S/C10H6N2O2/c11-5-7-3-6-1-2-12-9(6)4-8(7)10(13)14/h1-4,12H,(H,13,14)
InChI Key:
JOVGMLZIARCODE-UHFFFAOYSA-N
SMILES:
N#Cc1cc2cc[nH]c2cc1C(=O)O
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.17g/mol
Monoisotopic Mass:
186.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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