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10242-02-1 | 1H-Indole-3-carboxylic acid, 5-methyl-
CAS No: 10242-02-1 Catalog No: AG0007FL MDL No:MFCD06203285
Product Description
Catalog Number:
AG0007FL
Chemical Name:
1H-Indole-3-carboxylic acid, 5-methyl-
CAS Number:
10242-02-1
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD06203285
IUPAC Name:
5-methyl-1H-indole-3-carboxylic acid
InChI:
InChI=1S/C10H9NO2/c1-6-2-3-9-7(4-6)8(5-11-9)10(12)13/h2-5,11H,1H3,(H,12,13)
InChI Key:
TZNAHYKFVSHGDA-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(c[nH]2)C(=O)O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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