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Home > Other Heterocycles > 10036-12-1
10036-12-1 | Bicyclo[3.3.1]non-3-en-2-one
CAS No: 10036-12-1 Catalog No: AG0001PD MDL No:
Product Description
Catalog Number:
AG0001PD
Chemical Name:
Bicyclo[3.3.1]non-3-en-2-one
CAS Number:
10036-12-1
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
IUPAC Name:
bicyclo[3.2.2]non-3-en-2-one
InChI:
InChI=1S/C9H12O/c10-9-6-3-7-1-4-8(9)5-2-7/h3,6-8H,1-2,4-5H2
InChI Key:
OQUGOLXAPWQQJZ-UHFFFAOYSA-N
SMILES:
O=C1C=CC2CC1CCC2
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.089g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.194g/mol
Monoisotopic Mass:
136.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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