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

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

CAS No.:
1555501-43-3
Catalog Number:
AG01AMW0
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
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Product Description
Catalog Number:
AG01AMW0
Chemical Name:
4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-carboxylic acid
CAS Number:
1555501-43-3
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD24306291
IUPAC Name:
4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-7-carboxylic acid
InChI:
InChI=1S/C11H12N2O3/c1-6-4-10(14)13-8-3-2-7(11(15)16)5-9(8)12-6/h2-3,5-6,12H,4H2,1H3,(H,13,14)(H,15,16)
InChI Key:
IFGHTPMYTIIOAF-UHFFFAOYSA-N
SMILES:
CC1CC(=O)Nc2c(N1)cc(cc2)C(=O)O
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties