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89647-48-3 | 4-Methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-5-carboxylic acid methyl ester
CAS No: 89647-48-3 Catalog No: AG003VHE MDL No:
Product Description
Catalog Number:
AG003VHE
Chemical Name:
4-Methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-5-carboxylic acid methyl ester
CAS Number:
89647-48-3
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
IUPAC Name:
methyl 4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylate
InChI:
InChI=1S/C12H14N2O3/c1-8-7-11(15)13-9-5-3-4-6-10(9)14(8)12(16)17-2/h3-6,8H,7H2,1-2H3,(H,13,15)
InChI Key:
QTQYSOSHLWIANT-UHFFFAOYSA-N
SMILES:
COC(=O)N1C(C)CC(=O)Nc2c1cccc2
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.255g/mol
Monoisotopic Mass:
234.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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