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115444-73-0 | 1H-Benzimidazole-1-butanoic acid, 2-methyl-
CAS No: 115444-73-0 Catalog No: AG000G0I MDL No:MFCD00879013
Product Description
Catalog Number:
AG000G0I
Chemical Name:
1H-Benzimidazole-1-butanoic acid, 2-methyl-
CAS Number:
115444-73-0
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
MDL Number:
MFCD00879013
IUPAC Name:
4-(2-methylbenzimidazol-1-yl)butanoic acid
InChI:
InChI=1S/C12H14N2O2/c1-9-13-10-5-2-3-6-11(10)14(9)8-4-7-12(15)16/h2-3,5-6H,4,7-8H2,1H3,(H,15,16)
InChI Key:
IRBRKNDBYUBKIR-UHFFFAOYSA-N
SMILES:
OC(=O)CCCn1c(C)nc2c1cccc2
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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