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

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

CAS No.:
99072-14-7
Catalog Number:
AG01AD9H
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
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Product Description
Catalog Number:
AG01AD9H
Chemical Name:
1-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid
CAS Number:
99072-14-7
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
MDL Number:
MFCD11131636
IUPAC Name:
1-ethyl-2-oxo-3H-benzimidazole-5-carboxylic acid
InChI:
InChI=1S/C10H10N2O3/c1-2-12-8-4-3-6(9(13)14)5-7(8)11-10(12)15/h3-5H,2H2,1H3,(H,11,15)(H,13,14)
InChI Key:
JGHIRRNBELFNCN-UHFFFAOYSA-N
SMILES:
CCn1c(=O)[nH]c2c1ccc(c2)C(=O)O
Properties
Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties