Home Carboxys 3-(2,2-dimethylpropyl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-4-carboxylic acid

3-(2,2-dimethylpropyl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-4-carboxylic acid

CAS No.:
1710821-09-2
Catalog Number:
AG01BIGV
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
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Product Description
Catalog Number:
AG01BIGV
Chemical Name:
3-(2,2-dimethylpropyl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-4-carboxylic acid
CAS Number:
1710821-09-2
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
MDL Number:
MFCD26246242
IUPAC Name:
3-(2,2-dimethylpropyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
InChI:
InChI=1S/C13H16N2O3/c1-13(2,3)7-15-10-8(11(16)17)5-4-6-9(10)14-12(15)18/h4-6H,7H2,1-3H3,(H,14,18)(H,16,17)
InChI Key:
CILPVTWSVKQFED-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1n(CC(C)(C)C)c(=O)[nH]2
Properties
Complexity:
362  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
248.282g/mol
Monoisotopic Mass:
248.116g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties