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13987-67-2 | 2-Propenoic acid, 2-methyl-, 4-acetyl-3-hydroxyphenyl ester
CAS No: 13987-67-2 Catalog No: AG001BRJ MDL No:
Product Description
Catalog Number:
AG001BRJ
Chemical Name:
2-Propenoic acid, 2-methyl-, 4-acetyl-3-hydroxyphenyl ester
CAS Number:
13987-67-2
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
IUPAC Name:
(4-acetyl-3-hydroxyphenyl) 2-methylprop-2-enoate
InChI:
InChI=1S/C12H12O4/c1-7(2)12(15)16-9-4-5-10(8(3)13)11(14)6-9/h4-6,14H,1H2,2-3H3
InChI Key:
LOOZRGZXUIUMRW-UHFFFAOYSA-N
SMILES:
O=C(C(=C)C)Oc1ccc(c(c1)O)C(=O)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.224g/mol
Monoisotopic Mass:
220.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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