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124317-09-5 | 2-Propenoic acid, 3-(2,6-dimethylphenyl)-2-methyl-, methyl ester
CAS No: 124317-09-5 Catalog No: AG000LUO MDL No:
Product Description
Catalog Number:
AG000LUO
Chemical Name:
2-Propenoic acid, 3-(2,6-dimethylphenyl)-2-methyl-, methyl ester
CAS Number:
124317-09-5
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
methyl 3-(2,6-dimethylphenyl)-2-methylprop-2-enoate
InChI:
InChI=1S/C13H16O2/c1-9-6-5-7-10(2)12(9)8-11(3)13(14)15-4/h5-8H,1-4H3
InChI Key:
QOUVNPXQHSOYJQ-UHFFFAOYSA-N
SMILES:
COC(=O)C(=Cc1c(C)cccc1C)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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