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771-50-6 | 1H-Indole-3-carboxylic acid
CAS No: 771-50-6 Catalog No: AG0033QD MDL No:MFCD00005624
Product Description
Catalog Number:
AG0033QD
Chemical Name:
1H-Indole-3-carboxylic acid
CAS Number:
771-50-6
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD00005624
IUPAC Name:
1H-indole-3-carboxylic acid
InChI:
InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
InChI Key:
KMAKOBLIOCQGJP-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1cccc2
EC Number:
212-231-6
UNII:
59711R38B0
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
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