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114402-92-5 | 1H-Benzimidazole-6-acetic acid, 2-methyl-
CAS No: 114402-92-5 Catalog No: AG000B9B MDL No:MFCD10002708
Product Description
Catalog Number:
AG000B9B
Chemical Name:
1H-Benzimidazole-6-acetic acid, 2-methyl-
CAS Number:
114402-92-5
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
MDL Number:
MFCD10002708
IUPAC Name:
2-(2-methyl-3H-benzimidazol-5-yl)acetic acid
InChI:
InChI=1S/C10H10N2O2/c1-6-11-8-3-2-7(5-10(13)14)4-9(8)12-6/h2-4H,5H2,1H3,(H,11,12)(H,13,14)
InChI Key:
KFTOKXRMVWZJHK-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc2c(c1)[nH]c(n2)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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