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122309-66-4 | 2,4-Pentadienoic acid, 5-(4-hydroxy-3-methoxyphenyl)-, ethyl ester
CAS No: 122309-66-4 Catalog No: AG001734 MDL No:
Product Description
Catalog Number:
AG001734
Chemical Name:
2,4-Pentadienoic acid, 5-(4-hydroxy-3-methoxyphenyl)-, ethyl ester
CAS Number:
122309-66-4
Molecular Formula:
C14H16O4
Molecular Weight:
248.2744
IUPAC Name:
ethyl 5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienoate
InChI:
InChI=1S/C14H16O4/c1-3-18-14(16)7-5-4-6-11-8-9-12(15)13(10-11)17-2/h4-10,15H,3H2,1-2H3
InChI Key:
PUJCEZJWDNZNSK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=CC=Cc1ccc(c(c1)OC)O
Properties
Complexity:
309
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:
1
Isotope Atom Count:
0
Molecular Weight:
248.278g/mol
Monoisotopic Mass:
248.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.8
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