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113787-09-0 | 2,4-Hexadienedioic acid, 3-chloro-4-hydroxy-
CAS No: 113787-09-0 Catalog No: AG0009O4 MDL No:
Product Description
Catalog Number:
AG0009O4
Chemical Name:
2,4-Hexadienedioic acid, 3-chloro-4-hydroxy-
CAS Number:
113787-09-0
Molecular Formula:
C6H5ClO5
Molecular Weight:
192.5539
IUPAC Name:
3-chloro-4-hydroxyhexa-2,4-dienedioic acid
InChI:
InChI=1S/C6H5ClO5/c7-3(1-5(9)10)4(8)2-6(11)12/h1-2,8H,(H,9,10)(H,11,12)
InChI Key:
ASGBBRCWMYBFCS-UHFFFAOYSA-N
SMILES:
OC(=O)C=C(C(=CC(=O)O)O)Cl
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.983g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
192.551g/mol
Monoisotopic Mass:
191.983g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
0.6
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