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162087-77-6 | 3-Butenoic acid, 2-oxo-4-(3,4,5-trimethoxyphenyl)-, methyl ester, (3E)-
CAS No: 162087-77-6 Catalog No: AG001SQ5 MDL No:
Product Description
Catalog Number:
AG001SQ5
Chemical Name:
3-Butenoic acid, 2-oxo-4-(3,4,5-trimethoxyphenyl)-, methyl ester, (3E)-
CAS Number:
162087-77-6
Molecular Formula:
C14H16O6
Molecular Weight:
280.2732
IUPAC Name:
methyl 2-oxo-4-(3,4,5-trimethoxyphenyl)but-3-enoate
InChI:
InChI=1S/C14H16O6/c1-17-11-7-9(5-6-10(15)14(16)20-4)8-12(18-2)13(11)19-3/h5-8H,1-4H3
InChI Key:
SMBFWLCCKYRMPX-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)/C=C/c1cc(OC)c(c(c1)OC)OC
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.276g/mol
Monoisotopic Mass:
280.095g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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