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1017789-28-4 | 2-Propenoic acid, 2-ethoxy-3-[4-(phenylmethoxy)phenyl]-
CAS No: 1017789-28-4 Catalog No: AG0005J1 MDL No:
Product Description
Catalog Number:
AG0005J1
Chemical Name:
2-Propenoic acid, 2-ethoxy-3-[4-(phenylmethoxy)phenyl]-
CAS Number:
1017789-28-4
Molecular Formula:
C18H18O4
Molecular Weight:
298.3331
IUPAC Name:
(E)-2-ethoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
InChI:
InChI=1S/C18H18O4/c1-2-21-17(18(19)20)12-14-8-10-16(11-9-14)22-13-15-6-4-3-5-7-15/h3-12H,2,13H2,1H3,(H,19,20)/b17-12+
InChI Key:
VQMFWLXJEXQRGG-SFQUDFHCSA-N
SMILES:
CCOC(=Cc1ccc(cc1)OCc1ccccc1)C(=O)O
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
298.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.338g/mol
Monoisotopic Mass:
298.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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