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89543-16-8 | 4H-1,2-Diazepin-4-one, 7-acetyl-1,5-dihydro-3,5,5-trimethyl-
CAS No: 89543-16-8 Catalog No: AG00401B MDL No:
Product Description
Catalog Number:
AG00401B
Chemical Name:
4H-1,2-Diazepin-4-one, 7-acetyl-1,5-dihydro-3,5,5-trimethyl-
CAS Number:
89543-16-8
Molecular Formula:
C10H14N2O2
Molecular Weight:
194.2304
IUPAC Name:
7-acetyl-3,5,5-trimethyl-1H-diazepin-4-one
InChI:
InChI=1S/C10H14N2O2/c1-6-9(14)10(3,4)5-8(7(2)13)12-11-6/h5,12H,1-4H3
InChI Key:
NSBKZCLJQHZPTH-UHFFFAOYSA-N
SMILES:
CC(=O)C1=CC(C)(C)C(=O)C(=NN1)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.234g/mol
Monoisotopic Mass:
194.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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