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113823-43-1 | 2-Propenoic acid, 3-[4-(2-carboxyethenyl)phenyl]-, 1-tetradecyl ester
CAS No: 113823-43-1 Catalog No: AG0009SY MDL No:
Product Description
Catalog Number:
AG0009SY
Chemical Name:
2-Propenoic acid, 3-[4-(2-carboxyethenyl)phenyl]-, 1-tetradecyl ester
CAS Number:
113823-43-1
Molecular Formula:
C26H38O4
Molecular Weight:
414.5775
IUPAC Name:
3-[4-(3-oxo-3-tetradecoxyprop-1-enyl)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C26H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-22-30-26(29)21-19-24-16-14-23(15-17-24)18-20-25(27)28/h14-21H,2-13,22H2,1H3,(H,27,28)
InChI Key:
COTYMWYXBFYORB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCOC(=O)C=Cc1ccc(cc1)C=CC(=O)O
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.277g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
414.586g/mol
Monoisotopic Mass:
414.277g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
8.8
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