200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 824959-98-0
824959-98-0 | 2-Hexen-1-one, 2-[(acetyloxy)methyl]-5-methyl-1-phenyl-, (2E)-
CAS No: 824959-98-0 Catalog No: AG004US4 MDL No:
Product Description
Catalog Number:
AG004US4
Chemical Name:
2-Hexen-1-one, 2-[(acetyloxy)methyl]-5-methyl-1-phenyl-, (2E)-
CAS Number:
824959-98-0
Molecular Formula:
C16H20O3
Molecular Weight:
260.3282
IUPAC Name:
(2-benzoyl-5-methylhex-2-enyl) acetate
InChI:
InChI=1S/C16H20O3/c1-12(2)9-10-15(11-19-13(3)17)16(18)14-7-5-4-6-8-14/h4-8,10,12H,9,11H2,1-3H3
InChI Key:
PHYPGUHOIGOFOD-UHFFFAOYSA-N
SMILES:
CC(C/C=C(/C(=O)c1ccccc1)\COC(=O)C)C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.141g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.333g/mol
Monoisotopic Mass:
260.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.