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Home > Other Heterocycles > 135969-96-9
135969-96-9 | Bicyclo[2.2.1]heptan-2-one, 1-ethenyl-7,7-dimethyl-, (1R)-
CAS No: 135969-96-9 Catalog No: AG00723Q MDL No:
Product Description
Catalog Number:
AG00723Q
Chemical Name:
Bicyclo[2.2.1]heptan-2-one, 1-ethenyl-7,7-dimethyl-, (1R)-
CAS Number:
135969-96-9
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
IUPAC Name:
1-ethenyl-7,7-dimethylbicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C11H16O/c1-4-11-6-5-8(7-9(11)12)10(11,2)3/h4,8H,1,5-7H2,2-3H3
InChI Key:
UEVFTEJYOXJPNL-UHFFFAOYSA-N
SMILES:
C=C[C@@]12CCC(C2(C)C)CC1=O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.12g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.248g/mol
Monoisotopic Mass:
164.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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