200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 162087-89-0
162087-89-0 | 3-Butenoic acid, 4-(4-methoxyphenyl)-2-oxo-, methyl ester, (3E)-
CAS No: 162087-89-0 Catalog No: AG001SQ4 MDL No:
Product Description
Catalog Number:
AG001SQ4
Chemical Name:
3-Butenoic acid, 4-(4-methoxyphenyl)-2-oxo-, methyl ester, (3E)-
CAS Number:
162087-89-0
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
IUPAC Name:
methyl 4-(4-methoxyphenyl)-2-oxobut-3-enoate
InChI:
InChI=1S/C12H12O4/c1-15-10-6-3-9(4-7-10)5-8-11(13)12(14)16-2/h3-8H,1-2H3
InChI Key:
PYDDGUYDXOJSJA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)/C=C/C(=O)C(=O)OC
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.224g/mol
Monoisotopic Mass:
220.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.