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892241-05-3 | 2-(2-ISOBUTYL-1H-BENZIMIDAZOL-1-YL)PROPANOIC ACID
CAS No: 892241-05-3 Catalog No: AG0044M3 MDL No:MFCD08691689
Product Description
Catalog Number:
AG0044M3
Chemical Name:
2-(2-ISOBUTYL-1H-BENZIMIDAZOL-1-YL)PROPANOIC ACID
CAS Number:
892241-05-3
Molecular Formula:
C14H18N2O2
Molecular Weight:
246.3049
MDL Number:
MFCD08691689
IUPAC Name:
2-[2-(2-methylpropyl)benzimidazol-1-yl]propanoic acid
InChI:
InChI=1S/C14H18N2O2/c1-9(2)8-13-15-11-6-4-5-7-12(11)16(13)10(3)14(17)18/h4-7,9-10H,8H2,1-3H3,(H,17,18)
InChI Key:
XXBJTNCYZOPXBL-UHFFFAOYSA-N
SMILES:
CC(Cc1nc2c(n1C(C(=O)O)C)cccc2)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.137g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.31g/mol
Monoisotopic Mass:
246.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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