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Home > Other Heterocycles > 79657-43-5
79657-43-5 | Bicyclo[2.2.1]heptan-2-one, 6-ethylidene-
CAS No: 79657-43-5 Catalog No: AG005INU MDL No:
Product Description
Catalog Number:
AG005INU
Chemical Name:
Bicyclo[2.2.1]heptan-2-one, 6-ethylidene-
CAS Number:
79657-43-5
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
IUPAC Name:
6-ethylidenebicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C9H12O/c1-2-7-3-6-4-8(7)9(10)5-6/h2,6,8H,3-5H2,1H3
InChI Key:
QPNGSDLLMRPLQR-UHFFFAOYSA-N
SMILES:
CC=C1CC2CC1C(=O)C2
Properties
Complexity:
203
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:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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