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114449-10-4 | 2,4-Hexadienedioic acid, 2,3-dichloro-, (2Z,4Z)-
CAS No: 114449-10-4 Catalog No: AG000EEK MDL No:
Product Description
Catalog Number:
AG000EEK
Chemical Name:
2,4-Hexadienedioic acid, 2,3-dichloro-, (2Z,4Z)-
CAS Number:
114449-10-4
Molecular Formula:
C6H4Cl2O4
Molecular Weight:
210.9996
IUPAC Name:
2,3-dichlorohexa-2,4-dienedioic acid
InChI:
InChI=1S/C6H4Cl2O4/c7-3(1-2-4(9)10)5(8)6(11)12/h1-2H,(H,9,10)(H,11,12)
InChI Key:
SOSGLWHQVQUMLM-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C\C(=C(/C(=O)O)\Cl)\Cl
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.949g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.994g/mol
Monoisotopic Mass:
209.949g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.5
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