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132152-20-6 | 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-methyl-2-buten-1-yl ester
CAS No: 132152-20-6 Catalog No: AG0010AY MDL No:
Product Description
Catalog Number:
AG0010AY
Chemical Name:
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-methyl-2-buten-1-yl ester
CAS Number:
132152-20-6
Molecular Formula:
C14H16O4
Molecular Weight:
248.2744
IUPAC Name:
2-methylbut-2-enyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI:
InChI=1S/C14H16O4/c1-3-10(2)9-18-14(17)7-5-11-4-6-12(15)13(16)8-11/h3-8,15-16H,9H2,1-2H3
InChI Key:
JQOPZEVLBYDIEB-UHFFFAOYSA-N
SMILES:
CC=C(COC(=O)C=Cc1ccc(c(c1)O)O)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.278g/mol
Monoisotopic Mass:
248.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3
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