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Home > Other Heterocycles > 96598-41-3
96598-41-3 | Bicyclo[3.2.2]nona-3,6-dien-2-one, 4-methyl-
CAS No: 96598-41-3 Catalog No: AG0066WS MDL No:
Product Description
Catalog Number:
AG0066WS
Chemical Name:
Bicyclo[3.2.2]nona-3,6-dien-2-one, 4-methyl-
CAS Number:
96598-41-3
Molecular Formula:
C10H12O
Molecular Weight:
148.2017
IUPAC Name:
4-methylbicyclo[3.2.2]nona-3,6-dien-2-one
InChI:
InChI=1S/C10H12O/c1-7-6-10(11)9-4-2-8(7)3-5-9/h2,4,6,8-9H,3,5H2,1H3
InChI Key:
PQVKSVQURJRKPY-UHFFFAOYSA-N
SMILES:
CC1=CC(=O)C2CCC1C=C2
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.089g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.205g/mol
Monoisotopic Mass:
148.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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