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127427-28-5 | 2-Butenoic acid, 4-(4-methoxyphenyl)-4-oxo-, ethyl ester, (2E)-
CAS No: 127427-28-5 Catalog No: AG000X2M MDL No:
Product Description
Catalog Number:
AG000X2M
Chemical Name:
2-Butenoic acid, 4-(4-methoxyphenyl)-4-oxo-, ethyl ester, (2E)-
CAS Number:
127427-28-5
Molecular Formula:
C13H14O4
Molecular Weight:
234.2479
IUPAC Name:
ethyl 4-(4-methoxyphenyl)-4-oxobut-2-enoate
InChI:
InChI=1S/C13H14O4/c1-3-17-13(15)9-8-12(14)10-4-6-11(16-2)7-5-10/h4-9H,3H2,1-2H3
InChI Key:
XNQHIPSJGRPIIW-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/C(=O)c1ccc(cc1)OC
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.089g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.251g/mol
Monoisotopic Mass:
234.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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