Home Carboxys 4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-carboxylic acid

4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-carboxylic acid

CAS No.:
1094219-66-5
Catalog Number:
AG01AAHE
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
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Product Description
Catalog Number:
AG01AAHE
Chemical Name:
4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-carboxylic acid
CAS Number:
1094219-66-5
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
MDL Number:
MFCD11180938
IUPAC Name:
4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxylic acid
InChI:
InChI=1S/C10H10N2O3/c13-9-3-4-11-7-2-1-6(10(14)15)5-8(7)12-9/h1-2,5,11H,3-4H2,(H,12,13)(H,14,15)
InChI Key:
RVEFJTNHWHRSDO-UHFFFAOYSA-N
SMILES:
O=C1CCNc2c(N1)cc(cc2)C(=O)O
Properties
Complexity:
280  
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:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties