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Home > Other Heterocycles > 19890-00-7
19890-00-7 | Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-methylene-, (1S,5S)-
CAS No: 19890-00-7 Catalog No: AG002BST MDL No:
Product Description
Catalog Number:
AG002BST
Chemical Name:
Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-methylene-, (1S,5S)-
CAS Number:
19890-00-7
Molecular Formula:
C10H14O
Molecular Weight:
150.2176
IUPAC Name:
(1S,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-one
InChI:
InChI=1S/C10H14O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-8H,1,4-5H2,2-3H3/t7-,8+/m0/s1
InChI Key:
TZDMGBLPGZXHJI-JGVFFNPUSA-N
SMILES:
C=C1C(=O)C[C@@H]2C[C@H]1C2(C)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
150.104g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.221g/mol
Monoisotopic Mass:
150.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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