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Home > Other Heterocycles > 921223-41-8
921223-41-8 | Bicyclo[3.1.1]heptan-2-one, 4,6,6-trimethyl-, (1S,4S,5S)-
CAS No: 921223-41-8 Catalog No: AG006I0Y MDL No:
Product Description
Catalog Number:
AG006I0Y
Chemical Name:
Bicyclo[3.1.1]heptan-2-one, 4,6,6-trimethyl-, (1S,4S,5S)-
CAS Number:
921223-41-8
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
IUPAC Name:
(1S,4S,5S)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-one
InChI:
InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h6-8H,4-5H2,1-3H3/t6-,7-,8+/m0/s1
InChI Key:
QKGNSWNKNMFYRE-BIIVOSGPSA-N
SMILES:
C[C@H]1CC(=O)[C@H]2C[C@@H]1C2(C)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
152.12g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.237g/mol
Monoisotopic Mass:
152.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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