200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 119793-72-5
119793-72-5 | Propanedioic acid, 2-[(2E)-3-phenyl-2-propen-1-yl]-, 1,3-dimethyl ester
CAS No: 119793-72-5 Catalog No: AG000PN6 MDL No:
Product Description
Catalog Number:
AG000PN6
Chemical Name:
Propanedioic acid, 2-[(2E)-3-phenyl-2-propen-1-yl]-, 1,3-dimethyl ester
CAS Number:
119793-72-5
Molecular Formula:
C14H16O4
Molecular Weight:
248.2744
IUPAC Name:
dimethyl 2-(3-phenylprop-2-enyl)propanedioate
InChI:
InChI=1S/C14H16O4/c1-17-13(15)12(14(16)18-2)10-6-9-11-7-4-3-5-8-11/h3-9,12H,10H2,1-2H3
InChI Key:
ZVAUCRDQDHSXBG-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)OC)C/C=C/c1ccccc1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.278g/mol
Monoisotopic Mass:
248.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.