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114859-52-8 | 2-Propenoic acid, (3,5-dimethoxyphenyl)methyl ester
CAS No: 114859-52-8 Catalog No: AG000FDE MDL No:
Product Description
Catalog Number:
AG000FDE
Chemical Name:
2-Propenoic acid, (3,5-dimethoxyphenyl)methyl ester
CAS Number:
114859-52-8
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
IUPAC Name:
(3,5-dimethoxyphenyl)methyl prop-2-enoate
InChI:
InChI=1S/C12H14O4/c1-4-12(13)16-8-9-5-10(14-2)7-11(6-9)15-3/h4-7H,1,8H2,2-3H3
InChI Key:
SIKNYZBVPSVPFW-UHFFFAOYSA-N
SMILES:
COc1cc(COC(=O)C=C)cc(c1)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:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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