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887572-60-3 | 5-Methoxy-1H-benzo[d]imidazole-2-carboxylic acid
CAS No: 887572-60-3 Catalog No: AG004EUW MDL No:MFCD09261054
Product Description
Catalog Number:
AG004EUW
Chemical Name:
5-Methoxy-1H-benzo[d]imidazole-2-carboxylic acid
CAS Number:
887572-60-3
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD09261054
IUPAC Name:
6-methoxy-1H-benzimidazole-2-carboxylic acid
InChI:
InChI=1S/C9H8N2O3/c1-14-5-2-3-6-7(4-5)11-8(10-6)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChI Key:
GYPYWLKJBRSMIM-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc([nH]2)C(=O)O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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