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16522-39-7 | 2-Propenoic acid, 2-methyl-, 4-acetylphenyl ester
CAS No: 16522-39-7 Catalog No: AG001W08 MDL No:
Product Description
Catalog Number:
AG001W08
Chemical Name:
2-Propenoic acid, 2-methyl-, 4-acetylphenyl ester
CAS Number:
16522-39-7
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
IUPAC Name:
(4-acetylphenyl) 2-methylprop-2-enoate
InChI:
InChI=1S/C12H12O3/c1-8(2)12(14)15-11-6-4-10(5-7-11)9(3)13/h4-7H,1H2,2-3H3
InChI Key:
JXNVHEOTDUDTMM-UHFFFAOYSA-N
SMILES:
O=C(C(=C)C)Oc1ccc(cc1)C(=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:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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