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189265-63-2 | 2,4-Hexadienedioic acid, 1,6-bis[4-(chlorocarbonyl)phenyl] ester, (2E,4E)-
CAS No: 189265-63-2 Catalog No: AG002I5Q MDL No:
Product Description
Catalog Number:
AG002I5Q
Chemical Name:
2,4-Hexadienedioic acid, 1,6-bis[4-(chlorocarbonyl)phenyl] ester, (2E,4E)-
CAS Number:
189265-63-2
Molecular Formula:
C20H12Cl2O6
Molecular Weight:
419.2117
IUPAC Name:
bis(4-carbonochloridoylphenyl) hexa-2,4-dienedioate
InChI:
InChI=1S/C20H12Cl2O6/c21-19(25)13-5-9-15(10-6-13)27-17(23)3-1-2-4-18(24)28-16-11-7-14(8-12-16)20(22)26/h1-12H
InChI Key:
CSCGNAXDGAMEFD-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccc(cc1)C(=O)Cl)/C=C/C=C/C(=O)Oc1ccc(cc1)C(=O)Cl
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.001g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
419.21g/mol
Monoisotopic Mass:
418.001g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5
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