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77934-57-7 | 2,4-Hexadienoic acid, 2-hydroxy-6-oxo-, (Z,E)-
CAS No: 77934-57-7 Catalog No: AG005EA9 MDL No:
Product Description
Catalog Number:
AG005EA9
Chemical Name:
2,4-Hexadienoic acid, 2-hydroxy-6-oxo-, (Z,E)-
CAS Number:
77934-57-7
Molecular Formula:
C6H6O4
Molecular Weight:
142.1094
IUPAC Name:
6-hydroxy-2-oxohexa-3,5-dienoic acid
InChI:
InChI=1S/C6H6O4/c7-4-2-1-3-5(8)6(9)10/h1-4,7H,(H,9,10)
InChI Key:
MTOBWJUHQXQURZ-UHFFFAOYSA-N
SMILES:
O=C/C=C/C=C(/C(=O)O)\O
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.027g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
142.11g/mol
Monoisotopic Mass:
142.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
0.2
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