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601-97-8

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601-97-8 Structure

601-97-8 Structure
IdentificationBack Directory
[Name]

3-hydroxyphthalic acid
[CAS]

601-97-8
[Synonyms]

601-97-8
3-Hydroxyphthalicaci
3-hydroxyphthalic acid
1,2-Benzenedicarboxylicacid, 3-hydroxy-
[EINECS(EC#)]

210-011-4
[Molecular Formula]

C8H6O5
[MDL Number]

MFCD17000078
[MOL File]

601-97-8.mol
[Molecular Weight]

182.13
Chemical PropertiesBack Directory
[Melting point ]

161-163 °C
[Boiling point ]

422.5±40.0 °C(Predicted)
[density ]

1.612±0.06 g/cm3(Predicted)
[pka]

2.67±0.25(Predicted)
[InChI]

InChI=1S/C8H6O5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
[InChIKey]

MNUOZFHYBCRUOD-UHFFFAOYSA-N
[SMILES]

C1(C(O)=O)=CC=CC(O)=C1C(O)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Uses]

3-Hydroxyphthalic Acid can be used to treat cancer.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 77, p. 5092, 1955 DOI: 10.1021/ja01624a042
Spectrum DetailBack Directory
[Spectrum Detail]

3-hydroxyphthalic acid(601-97-8)1HNMR
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