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141140-78-5 | Butanedioic acid, 1-methyl 4-(2,2,2-trichloroethyl) ester
CAS No: 141140-78-5 Catalog No: AG001FZ1 MDL No:
Product Description
Catalog Number:
AG001FZ1
Chemical Name:
Butanedioic acid, 1-methyl 4-(2,2,2-trichloroethyl) ester
CAS Number:
141140-78-5
Molecular Formula:
C7H9Cl3O4
Molecular Weight:
263.5030
IUPAC Name:
1-O-methyl 4-O-(2,2,2-trichloroethyl) butanedioate
InChI:
InChI=1S/C7H9Cl3O4/c1-13-5(11)2-3-6(12)14-4-7(8,9)10/h2-4H2,1H3
InChI Key:
QKIJJNFIBPAIMD-UHFFFAOYSA-N
SMILES:
COC(=O)CCC(=O)OCC(Cl)(Cl)Cl
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.957g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.495g/mol
Monoisotopic Mass:
261.957g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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