200,000+ products from a single source!
sales@angenechem.com
17530-69-7 | 2-Cyclohexen-1-one, 3-chloro-5,5-dimethyl-
CAS No: 17530-69-7 Catalog No: AG0020WJ MDL No:MFCD00051620
Product Description
Catalog Number:
AG0020WJ
Chemical Name:
2-Cyclohexen-1-one, 3-chloro-5,5-dimethyl-
CAS Number:
17530-69-7
Molecular Formula:
C8H11ClO
Molecular Weight:
158.6253
MDL Number:
MFCD00051620
IUPAC Name:
3-chloro-5,5-dimethylcyclohex-2-en-1-one
InChI:
InChI=1S/C8H11ClO/c1-8(2)4-6(9)3-7(10)5-8/h3H,4-5H2,1-2H3
InChI Key:
PJYTYJGMJDIKEJ-UHFFFAOYSA-N
SMILES:
ClC1=CC(=O)CC(C1)(C)C
UNII:
E73W928G5O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.05g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.625g/mol
Monoisotopic Mass:
158.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.