200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 132559-69-4
132559-69-4 | 2-Octene-1,7-dione, 1-phenyl-, (2E)-
CAS No: 132559-69-4 Catalog No: AG0010U2 MDL No:
Product Description
Catalog Number:
AG0010U2
Chemical Name:
2-Octene-1,7-dione, 1-phenyl-, (2E)-
CAS Number:
132559-69-4
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
IUPAC Name:
1-phenyloct-2-ene-1,7-dione
InChI:
InChI=1S/C14H16O2/c1-12(15)8-4-2-7-11-14(16)13-9-5-3-6-10-13/h3,5-7,9-11H,2,4,8H2,1H3
InChI Key:
REXCQOASQKYZEK-UHFFFAOYSA-N
SMILES:
CC(=O)CCC/C=C/C(=O)c1ccccc1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.28g/mol
Monoisotopic Mass:
216.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.