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15519-50-3 | Hexanedioic acid, 3,4-dichloro-
CAS No: 15519-50-3 Catalog No: AG001NPL MDL No:
Product Description
Catalog Number:
AG001NPL
Chemical Name:
Hexanedioic acid, 3,4-dichloro-
CAS Number:
15519-50-3
Molecular Formula:
C6H8Cl2O4
Molecular Weight:
215.0313
IUPAC Name:
3,4-dichlorohexanedioic acid
InChI:
InChI=1S/C6H8Cl2O4/c7-3(1-5(9)10)4(8)2-6(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)
InChI Key:
JZKSOOULIOOWHB-UHFFFAOYSA-N
SMILES:
ClC(C(CC(=O)O)Cl)CC(=O)O
NSC Number:
86112
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.98g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.026g/mol
Monoisotopic Mass:
213.98g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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