Home Other Building Blocks 4-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)butanoic acid

4-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)butanoic acid

CAS No.:
6646-65-7
Catalog Number:
AG01AB8B
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
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Product Description
Catalog Number:
AG01AB8B
Chemical Name:
4-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)butanoic acid
CAS Number:
6646-65-7
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD11168388
IUPAC Name:
4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid
InChI:
InChI=1S/C11H12N2O3/c14-10(15)3-1-2-7-4-5-8-9(6-7)13-11(16)12-8/h4-6H,1-3H2,(H,14,15)(H2,12,13,16)
InChI Key:
XNEGUTSSQSNXMQ-UHFFFAOYSA-N
SMILES:
OC(=O)CCCc1ccc2c(c1)[nH]c(=O)[nH]2
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:
3  
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties