Home Other Building Blocks 3-(2-oxo-3-propyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propanoic acid

3-(2-oxo-3-propyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propanoic acid

CAS No.:
874754-26-4
Catalog Number:
AG019OV3
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
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Product Description
Catalog Number:
AG019OV3
Chemical Name:
3-(2-oxo-3-propyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propanoic acid
CAS Number:
874754-26-4
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
MDL Number:
MFCD07689458
IUPAC Name:
3-(2-oxo-3-propylbenzimidazol-1-yl)propanoic acid
InChI:
InChI=1S/C13H16N2O3/c1-2-8-14-10-5-3-4-6-11(10)15(13(14)18)9-7-12(16)17/h3-6H,2,7-9H2,1H3,(H,16,17)
InChI Key:
VYSGOOOFHJWDHZ-UHFFFAOYSA-N
SMILES:
CCCn1c(=O)n(c2c1cccc2)CCC(=O)O
Properties
Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.116g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.282g/mol
Monoisotopic Mass:
248.116g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties