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721968-49-6 | 2-Propenoic acid, 3-[3-ethoxy-4-(phenylmethoxy)phenyl]-, ethyl ester
CAS No: 721968-49-6 Catalog No: AG005JG7 MDL No:
Product Description
Catalog Number:
AG005JG7
Chemical Name:
2-Propenoic acid, 3-[3-ethoxy-4-(phenylmethoxy)phenyl]-, ethyl ester
CAS Number:
721968-49-6
Molecular Formula:
C20H22O4
Molecular Weight:
326.3863
IUPAC Name:
ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C20H22O4/c1-3-22-19-14-16(11-13-20(21)23-4-2)10-12-18(19)24-15-17-8-6-5-7-9-17/h5-14H,3-4,15H2,1-2H3
InChI Key:
OSVCVDNPZMMIEE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=Cc1ccc(c(c1)OCC)OCc1ccccc1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.152g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.392g/mol
Monoisotopic Mass:
326.152g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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