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89861-42-7 | 3-Butenoic acid, 4-(4-methoxyphenyl)-, ethyl ester, (E)-
CAS No: 89861-42-7 Catalog No: AG003WQW MDL No:
Product Description
Catalog Number:
AG003WQW
Chemical Name:
3-Butenoic acid, 4-(4-methoxyphenyl)-, ethyl ester, (E)-
CAS Number:
89861-42-7
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
IUPAC Name:
ethyl 4-(4-methoxyphenyl)but-3-enoate
InChI:
InChI=1S/C13H16O3/c1-3-16-13(14)6-4-5-11-7-9-12(15-2)10-8-11/h4-5,7-10H,3,6H2,1-2H3
InChI Key:
RUSZDRJNUPQHML-UHFFFAOYSA-N
SMILES:
CCOC(=O)C/C=C/c1ccc(cc1)OC
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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