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143701-96-6 | Propanedioic acid, 2-chloro-2-methyl-, 1,3-dimethyl ester
CAS No: 143701-96-6 Catalog No: AG001I7U MDL No:
Product Description
Catalog Number:
AG001I7U
Chemical Name:
Propanedioic acid, 2-chloro-2-methyl-, 1,3-dimethyl ester
CAS Number:
143701-96-6
Molecular Formula:
C6H9ClO4
Molecular Weight:
180.5863
IUPAC Name:
dimethyl 2-(chloromethyl)propanedioate
InChI:
InChI=1S/C6H9ClO4/c1-10-5(8)4(3-7)6(9)11-2/h4H,3H2,1-2H3
InChI Key:
LALRHYOSWRBQTP-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)OC)(Cl)C
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.019g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.584g/mol
Monoisotopic Mass:
180.019g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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