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82352-49-6 | Bicyclo[3.2.0]heptan-6-one, 7,7-dichloro-1-hydroxy-3,3-dimethyl-
CAS No: 82352-49-6 Catalog No: AG004YMW MDL No:
Product Description
Catalog Number:
AG004YMW
Chemical Name:
Bicyclo[3.2.0]heptan-6-one, 7,7-dichloro-1-hydroxy-3,3-dimethyl-
CAS Number:
82352-49-6
Molecular Formula:
C9H12Cl2O2
Molecular Weight:
223.0964
IUPAC Name:
7,7-dichloro-1-hydroxy-3,3-dimethylbicyclo[3.2.0]heptan-6-one
InChI:
InChI=1S/C9H12Cl2O2/c1-7(2)3-5-6(12)9(10,11)8(5,13)4-7/h5,13H,3-4H2,1-2H3
InChI Key:
HKQFIMUOFCYPFT-UHFFFAOYSA-N
SMILES:
O=C1C2CC(CC2(C1(Cl)Cl)O)(C)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.021g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.093g/mol
Monoisotopic Mass:
222.021g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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