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Home > Other Heterocycles > 94390-60-0
94390-60-0 | Bicyclo[5.1.0]oct-4-en-3-one, 5,8,8-trimethyl-, (1S,7R)-
CAS No: 94390-60-0 Catalog No: AG005XIV MDL No:
Product Description
Catalog Number:
AG005XIV
Chemical Name:
Bicyclo[5.1.0]oct-4-en-3-one, 5,8,8-trimethyl-, (1S,7R)-
CAS Number:
94390-60-0
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
IUPAC Name:
(1S,7R)-5,8,8-trimethylbicyclo[5.1.0]oct-4-en-3-one
InChI:
InChI=1S/C11H16O/c1-7-4-8(12)6-10-9(5-7)11(10,2)3/h4,9-10H,5-6H2,1-3H3/t9-,10+/m1/s1
InChI Key:
XVXICGHYBCMQNM-ZJUUUORDSA-N
SMILES:
CC1=CC(=O)C[C@H]2[C@@H](C1)C2(C)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
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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