200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 142205-19-4
142205-19-4 | 2,4-Pentanedione, 3-(1-cyclohexen-1-yl)-3-methyl-
CAS No: 142205-19-4 Catalog No: AG001HXZ MDL No:
Product Description
Catalog Number:
AG001HXZ
Chemical Name:
2,4-Pentanedione, 3-(1-cyclohexen-1-yl)-3-methyl-
CAS Number:
142205-19-4
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
3-(cyclohexen-1-yl)-3-methylpentane-2,4-dione
InChI:
InChI=1S/C12H18O2/c1-9(13)12(3,10(2)14)11-7-5-4-6-8-11/h7H,4-6,8H2,1-3H3
InChI Key:
JFMSCLCVWAOJTN-UHFFFAOYSA-N
SMILES:
CC(=O)C(C1=CCCCC1)(C(=O)C)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.