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3273-68-5 | 4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)butanoic acid
CAS No: 3273-68-5 Catalog No: AG003K0D MDL No:MFCD06656423
Product Description
Catalog Number:
AG003K0D
Chemical Name:
4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)butanoic acid
CAS Number:
3273-68-5
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD06656423
IUPAC Name:
4-(2-oxo-3H-benzimidazol-1-yl)butanoic acid
InChI:
InChI=1S/C11H12N2O3/c14-10(15)6-3-7-13-9-5-2-1-4-8(9)12-11(13)16/h1-2,4-5H,3,6-7H2,(H,12,16)(H,14,15)
InChI Key:
PTNUQSFEJXMNOQ-UHFFFAOYSA-N
SMILES:
OC(=O)CCCn1c(=O)[nH]c2c1cccc2
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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