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117287-20-4 | 2-Propenoic acid, 2-methyl-, 2,5-dimethylphenyl ester
CAS No: 117287-20-4 Catalog No: AG000E1O MDL No:
Product Description
Catalog Number:
AG000E1O
Chemical Name:
2-Propenoic acid, 2-methyl-, 2,5-dimethylphenyl ester
CAS Number:
117287-20-4
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
IUPAC Name:
(2,5-dimethylphenyl) 2-methylprop-2-enoate
InChI:
InChI=1S/C12H14O2/c1-8(2)12(13)14-11-7-9(3)5-6-10(11)4/h5-7H,1H2,2-4H3
InChI Key:
DRUJNEBAVKDCJJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)OC(=O)C(=C)C)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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