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1167056-00-9 | 1H-Indole-6-carboxylic acid, 5-methyl-
CAS No: 1167056-00-9 Catalog No: AG000D2R MDL No:MFCD12405190
Product Description
Catalog Number:
AG000D2R
Chemical Name:
1H-Indole-6-carboxylic acid, 5-methyl-
CAS Number:
1167056-00-9
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD12405190
IUPAC Name:
5-methyl-1H-indole-6-carboxylic acid
InChI:
InChI=1S/C10H9NO2/c1-6-4-7-2-3-11-9(7)5-8(6)10(12)13/h2-5,11H,1H3,(H,12,13)
InChI Key:
CROWWHBJJVXFRU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2[nH]ccc2cc1C
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:
1.9
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