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18474-57-2 | 4-Methyl-1H-indole-2-carboxylic acid
CAS No: 18474-57-2 Catalog No: AG0037NB MDL No:MFCD02664476
Product Description
Catalog Number:
AG0037NB
Chemical Name:
4-Methyl-1H-indole-2-carboxylic acid
CAS Number:
18474-57-2
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD02664476
IUPAC Name:
4-methyl-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C10H9NO2/c1-6-3-2-4-8-7(6)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)
InChI Key:
QMSCXKCJGFIXDF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c([nH]1)cccc2C
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:
2.7
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