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Home > Imidazoles > 50365-32-7
50365-32-7 | 4-(2-BENZIMIDAZOLYL)BUTYRIC ACID
CAS No: 50365-32-7 Catalog No: AG00D99V MDL No:MFCD00178957
Product Description
Catalog Number:
AG00D99V
Chemical Name:
4-(2-BENZIMIDAZOLYL)BUTYRIC ACID
CAS Number:
50365-32-7
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
MDL Number:
MFCD00178957
IUPAC Name:
4-(1H-benzimidazol-2-yl)butanoic acid
InChI:
InChI=1S/C11H12N2O2/c14-11(15)7-3-6-10-12-8-4-1-2-5-9(8)13-10/h1-2,4-5H,3,6-7H2,(H,12,13)(H,14,15)
InChI Key:
ZDHBKJAJFVSOSF-UHFFFAOYSA-N
SMILES:
OC(=O)CCCc1nc2c([nH]1)cccc2
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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