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113516-58-8 | 2,4-Hexadienedioic acid, 3-hydroxy-
CAS No: 113516-58-8 Catalog No: AG0008V2 MDL No:
Product Description
Catalog Number:
AG0008V2
Chemical Name:
2,4-Hexadienedioic acid, 3-hydroxy-
CAS Number:
113516-58-8
Molecular Formula:
C6H6O5
Molecular Weight:
158.1088
IUPAC Name:
3-hydroxyhexa-2,4-dienedioic acid
InChI:
InChI=1S/C6H6O5/c7-4(3-6(10)11)1-2-5(8)9/h1-3,7H,(H,8,9)(H,10,11)
InChI Key:
DLKZGMNZEDNHKO-UHFFFAOYSA-N
SMILES:
OC(=O)C=CC(=CC(=O)O)O
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.022g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
158.109g/mol
Monoisotopic Mass:
158.022g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
0.2
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