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14789-77-6 | 2,4-Cyclohexadien-1-one, 6-(dichloromethyl)-3,6-dimethyl-
CAS No: 14789-77-6 Catalog No: AG001F95 MDL No:
Product Description
Catalog Number:
AG001F95
Chemical Name:
2,4-Cyclohexadien-1-one, 6-(dichloromethyl)-3,6-dimethyl-
CAS Number:
14789-77-6
Molecular Formula:
C9H10Cl2O
Molecular Weight:
205.0811
IUPAC Name:
6-(dichloromethyl)-3,6-dimethylcyclohexa-2,4-dien-1-one
InChI:
InChI=1S/C9H10Cl2O/c1-6-3-4-9(2,8(10)11)7(12)5-6/h3-5,8H,1-2H3
InChI Key:
YRHOTVVXOPVSJB-UHFFFAOYSA-N
SMILES:
CC1=CC(=O)C(C=C1)(C)C(Cl)Cl
NSC Number:
147461
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.011g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.078g/mol
Monoisotopic Mass:
204.011g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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