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1605-30-7 | Propanedioic acid, 1,3-bis(2-chloroethyl) ester
CAS No: 1605-30-7 Catalog No: AG001RYX MDL No:
Product Description
Catalog Number:
AG001RYX
Chemical Name:
Propanedioic acid, 1,3-bis(2-chloroethyl) ester
CAS Number:
1605-30-7
Molecular Formula:
C7H10Cl2O4
Molecular Weight:
229.0579
IUPAC Name:
bis(2-chloroethyl) propanedioate
InChI:
InChI=1S/C7H10Cl2O4/c8-1-3-12-6(10)5-7(11)13-4-2-9/h1-5H2
InChI Key:
GGIGJDDNQAQHQE-UHFFFAOYSA-N
SMILES:
ClCCOC(=O)CC(=O)OCCCl
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.996g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.053g/mol
Monoisotopic Mass:
227.996g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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