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116406-21-4 | 2-Propenoic acid, 3-(2,3,4-trimethoxyphenyl)-, methyl ester, (2E)-
CAS No: 116406-21-4 Catalog No: AG000CE5 MDL No:MFCD12034620
Product Description
Catalog Number:
AG000CE5
Chemical Name:
2-Propenoic acid, 3-(2,3,4-trimethoxyphenyl)-, methyl ester, (2E)-
CAS Number:
116406-21-4
Molecular Formula:
C13H16O5
Molecular Weight:
252.2631
MDL Number:
MFCD12034620
IUPAC Name:
methyl 3-(2,3,4-trimethoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C13H16O5/c1-15-10-7-5-9(6-8-11(14)16-2)12(17-3)13(10)18-4/h5-8H,1-4H3
InChI Key:
BDPRQDJNPJRLOB-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/c1ccc(c(c1OC)OC)OC
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.266g/mol
Monoisotopic Mass:
252.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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