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155049-54-0 | 1H-Benzimidazole-6-propanoic acid
CAS No: 155049-54-0 Catalog No: AG001NKX MDL No:
Product Description
Catalog Number:
AG001NKX
Chemical Name:
1H-Benzimidazole-6-propanoic acid
CAS Number:
155049-54-0
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
IUPAC Name:
3-(3H-benzimidazol-5-yl)propanoic acid
InChI:
InChI=1S/C10H10N2O2/c13-10(14)4-2-7-1-3-8-9(5-7)12-6-11-8/h1,3,5-6H,2,4H2,(H,11,12)(H,13,14)
InChI Key:
AODOMGJHAKHUOP-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc2c(c1)[nH]cn2
Properties
Complexity:
220
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:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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