200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 85217-77-2
85217-77-2 | 4-Pentenoic acid, 2-acetyl-5-phenyl-, methyl ester, (E)-
CAS No: 85217-77-2 Catalog No: AG004VYN MDL No:
Product Description
Catalog Number:
AG004VYN
Chemical Name:
4-Pentenoic acid, 2-acetyl-5-phenyl-, methyl ester, (E)-
CAS Number:
85217-77-2
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
IUPAC Name:
methyl 2-acetyl-5-phenylpent-4-enoate
InChI:
InChI=1S/C14H16O3/c1-11(15)13(14(16)17-2)10-6-9-12-7-4-3-5-8-12/h3-9,13H,10H2,1-2H3
InChI Key:
BHHKFTCTPCSRCF-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)C)C/C=C/c1ccccc1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.279g/mol
Monoisotopic Mass:
232.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.