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79899-30-2 | Propanedioic acid, bis(3-chloropropyl)-, diethyl ester
CAS No: 79899-30-2 Catalog No: AG004ZCC MDL No:
Product Description
Catalog Number:
AG004ZCC
Chemical Name:
Propanedioic acid, bis(3-chloropropyl)-, diethyl ester
CAS Number:
79899-30-2
Molecular Formula:
C13H22Cl2O4
Molecular Weight:
313.2174
IUPAC Name:
diethyl 2,2-bis(3-chloropropyl)propanedioate
InChI:
InChI=1S/C13H22Cl2O4/c1-3-18-11(16)13(7-5-9-14,8-6-10-15)12(17)19-4-2/h3-10H2,1-2H3
InChI Key:
QSQWCEIDFFOOBW-UHFFFAOYSA-N
SMILES:
ClCCCC(C(=O)OCC)(C(=O)OCC)CCCCl
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.215g/mol
Monoisotopic Mass:
312.09g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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