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88365-97-3 | 1,2-Diazabicyclo[5.2.0]nona-2,4-dien-9-one, 5,8-dimethyl-, cis-
CAS No: 88365-97-3 Catalog No: AG004MP8 MDL No:
Product Description
Catalog Number:
AG004MP8
Chemical Name:
1,2-Diazabicyclo[5.2.0]nona-2,4-dien-9-one, 5,8-dimethyl-, cis-
CAS Number:
88365-97-3
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
IUPAC Name:
(7R,8R)-5,8-dimethyl-1,2-diazabicyclo[5.2.0]nona-2,4-dien-9-one
InChI:
InChI=1S/C9H12N2O/c1-6-3-4-10-11-8(5-6)7(2)9(11)12/h3-4,7-8H,5H2,1-2H3/t7-,8-/m1/s1
InChI Key:
ZYPOEMSYIBJTHU-HTQZYQBOSA-N
SMILES:
CC1=CC=NN2[C@H](C1)[C@@H](C)C2=O
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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