200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 113487-35-7
113487-35-7 | 2-Cyclohexen-1-one, 4,4-dimethyl-6-(trifluoromethyl)-
CAS No: 113487-35-7 Catalog No: AG0008QZ MDL No:
Product Description
Catalog Number:
AG0008QZ
Chemical Name:
2-Cyclohexen-1-one, 4,4-dimethyl-6-(trifluoromethyl)-
CAS Number:
113487-35-7
Molecular Formula:
C9H11F3O
Molecular Weight:
192.1782
IUPAC Name:
4,4-dimethyl-6-(trifluoromethyl)cyclohex-2-en-1-one
InChI:
InChI=1S/C9H11F3O/c1-8(2)4-3-7(13)6(5-8)9(10,11)12/h3-4,6H,5H2,1-2H3
InChI Key:
ZZQUFWADMUTBGP-UHFFFAOYSA-N
SMILES:
FC(C1CC(C)(C)C=CC1=O)(F)F
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.076g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.181g/mol
Monoisotopic Mass:
192.076g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.