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126969-77-5 | 2-Propenoic acid, 2-methyl-, 2-chloro-6-methylphenyl ester
CAS No: 126969-77-5 Catalog No: AG000WHW MDL No:
Product Description
Catalog Number:
AG000WHW
Chemical Name:
2-Propenoic acid, 2-methyl-, 2-chloro-6-methylphenyl ester
CAS Number:
126969-77-5
Molecular Formula:
C11H11ClO2
Molecular Weight:
210.6568
IUPAC Name:
(2-chloro-6-methylphenyl) 2-methylprop-2-enoate
InChI:
InChI=1S/C11H11ClO2/c1-7(2)11(13)14-10-8(3)5-4-6-9(10)12/h4-6H,1H2,2-3H3
InChI Key:
YUDJQIVGLDQNOB-UHFFFAOYSA-N
SMILES:
O=C(C(=C)C)Oc1c(C)cccc1Cl
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.045g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.657g/mol
Monoisotopic Mass:
210.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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