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2026-13-3 | 2-Propenoic acid, 3,3-dichloro-2-methyl-, ethyl ester
CAS No: 2026-13-3 Catalog No: AG0028BV MDL No:
Product Description
Catalog Number:
AG0028BV
Chemical Name:
2-Propenoic acid, 3,3-dichloro-2-methyl-, ethyl ester
CAS Number:
2026-13-3
Molecular Formula:
C6H8Cl2O2
Molecular Weight:
183.0325
IUPAC Name:
ethyl 3,3-dichloro-2-methylprop-2-enoate
InChI:
InChI=1S/C6H8Cl2O2/c1-3-10-6(9)4(2)5(7)8/h3H2,1-2H3
InChI Key:
VUCQRLBRCDRXET-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C(Cl)Cl)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.99g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.028g/mol
Monoisotopic Mass:
181.99g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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