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14678-78-5 | 1H-Benzimidazole-2-pentanoic acid
CAS No: 14678-78-5 Catalog No: AG001EBA MDL No:MFCD00612525
Product Description
Catalog Number:
AG001EBA
Chemical Name:
1H-Benzimidazole-2-pentanoic acid
CAS Number:
14678-78-5
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
MDL Number:
MFCD00612525
IUPAC Name:
5-(1H-benzimidazol-2-yl)pentanoic acid
InChI:
InChI=1S/C12H14N2O2/c15-12(16)8-4-3-7-11-13-9-5-1-2-6-10(9)14-11/h1-2,5-6H,3-4,7-8H2,(H,13,14)(H,15,16)
InChI Key:
NVXHPONACTZBEP-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCc1nc2c([nH]1)cccc2
Properties
Complexity:
245
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:
2
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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