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117341-93-2 | Bicyclo[3.1.0]hexan-2-one, 6-chloro-6-methyl-
CAS No: 117341-93-2 Catalog No: AG000E5S MDL No:MFCD24693134
Product Description
Catalog Number:
AG000E5S
Chemical Name:
Bicyclo[3.1.0]hexan-2-one, 6-chloro-6-methyl-
CAS Number:
117341-93-2
Molecular Formula:
C7H9ClO
Molecular Weight:
144.5988
MDL Number:
MFCD24693134
IUPAC Name:
6-chloro-6-methylbicyclo[3.1.0]hexan-2-one
InChI:
InChI=1S/C7H9ClO/c1-7(8)4-2-3-5(9)6(4)7/h4,6H,2-3H2,1H3
InChI Key:
ZNVASLZCGNQJDR-UHFFFAOYSA-N
SMILES:
CC1(Cl)C2C1CCC2=O
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.034g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.598g/mol
Monoisotopic Mass:
144.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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