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156801-33-1 | Ethanone, 2-chloro-1-(2,6,6-trimethylbicyclo[3.1.1]hept-3-yl)-
CAS No: 156801-33-1 Catalog No: AG001P0P MDL No:
Product Description
Catalog Number:
AG001P0P
Chemical Name:
Ethanone, 2-chloro-1-(2,6,6-trimethylbicyclo[3.1.1]hept-3-yl)-
CAS Number:
156801-33-1
Molecular Formula:
C12H19ClO
Molecular Weight:
214.7317
IUPAC Name:
2-chloro-1-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)ethanone
InChI:
InChI=1S/C12H19ClO/c1-7-9(11(14)6-13)4-8-5-10(7)12(8,2)3/h7-10H,4-6H2,1-3H3
InChI Key:
JFFMXQOQKPXZJO-UHFFFAOYSA-N
SMILES:
ClCC(=O)C1CC2CC(C1C)C2(C)C
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.112g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.733g/mol
Monoisotopic Mass:
214.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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