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Home > Other Heterocycles > 83323-39-1
83323-39-1 | Bicyclo[4.2.1]nona-3,7-dien-2-one, 3-methyl-
CAS No: 83323-39-1 Catalog No: AG004T0G MDL No:
Product Description
Catalog Number:
AG004T0G
Chemical Name:
Bicyclo[4.2.1]nona-3,7-dien-2-one, 3-methyl-
CAS Number:
83323-39-1
Molecular Formula:
C10H12O
Molecular Weight:
148.2017
IUPAC Name:
3-methylbicyclo[4.2.1]nona-3,7-dien-2-one
InChI:
InChI=1S/C10H12O/c1-7-2-3-8-4-5-9(6-8)10(7)11/h2,4-5,8-9H,3,6H2,1H3
InChI Key:
VICHRTNGVZXJRW-UHFFFAOYSA-N
SMILES:
CC1=CCC2CC(C1=O)C=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:
2
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