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119644-12-1 | 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-methylpropyl ester, (2E)-
CAS No: 119644-12-1 Catalog No: AG000PDZ MDL No:
Product Description
Catalog Number:
AG000PDZ
Chemical Name:
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-methylpropyl ester, (2E)-
CAS Number:
119644-12-1
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
IUPAC Name:
2-methylpropyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI:
InChI=1S/C13H16O4/c1-9(2)8-17-13(16)6-4-10-3-5-11(14)12(15)7-10/h3-7,9,14-15H,8H2,1-2H3
InChI Key:
HVDQUTDXFKDQOK-UHFFFAOYSA-N
SMILES:
CC(COC(=O)/C=C/c1ccc(c(c1)O)O)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.267g/mol
Monoisotopic Mass:
236.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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