Home Carboxys 1-cyclopropyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid

1-cyclopropyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid

CAS No.:
1019367-66-8
Catalog Number:
AG01B6O6
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
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Product Description
Catalog Number:
AG01B6O6
Chemical Name:
1-cyclopropyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid
CAS Number:
1019367-66-8
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD11131637
IUPAC Name:
1-cyclopropyl-2-oxo-3H-benzimidazole-5-carboxylic acid
InChI:
InChI=1S/C11H10N2O3/c14-10(15)6-1-4-9-8(5-6)12-11(16)13(9)7-2-3-7/h1,4-5,7H,2-3H2,(H,12,16)(H,14,15)
InChI Key:
PRGHTWSNAGRIHL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CC1
Properties
Complexity:
340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties