200,000+ products from a single source!
sales@angenechem.com
100613-03-4 | Benzenepropanoic acid, 4-(acetyloxy)-, ethyl ester
CAS No: 100613-03-4 Catalog No: AG0002I3 MDL No:
Product Description
Catalog Number:
AG0002I3
Chemical Name:
Benzenepropanoic acid, 4-(acetyloxy)-, ethyl ester
CAS Number:
100613-03-4
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
IUPAC Name:
ethyl 3-(4-acetyloxyphenyl)propanoate
InChI:
InChI=1S/C13H16O4/c1-3-16-13(15)9-6-11-4-7-12(8-5-11)17-10(2)14/h4-5,7-8H,3,6,9H2,1-2H3
InChI Key:
ATTBAJVGJKTREB-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCc1ccc(cc1)OC(=O)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.267g/mol
Monoisotopic Mass:
236.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.