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865233-35-8

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865233-35-8 Structure

865233-35-8 Structure
IdentificationBack Directory
[Name]

(3S)-3-(4-Hydroxyphenyl)-4-hexynoic acid
[CAS]

865233-35-8
[Synonyms]

EOS-61960
(3S)-3-(4-hydroxyphenyl)hex-4-yic acid
(3S)-3-(4-Hydroxyphenyl)-4-hexynoic acid
(3S)-3-(4-hydroxyphenyl)hex-4-ynoic acid
Benzenepropanoic acid, 4-hydroxy-b-1-propynyl-, (bS)-
Benzenepropanoic acid, 4-hydroxy-β-1-propyn-1-yl-, (βS)-
[Molecular Formula]

C12H12O3
[MDL Number]

MFCD23106483
[MOL File]

865233-35-8.mol
[Molecular Weight]

204.222
Chemical PropertiesBack Directory
[Melting point ]

127 °C
[Boiling point ]

398.2±37.0 °C(Predicted)
[density ]

1.234±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[pka]

4.23±0.10(Predicted)
[Appearance]

Off-white to light yellow Solid
[InChI]

InChI=1/C12H12O3/c1-2-3-10(8-12(14)15)9-4-6-11(13)7-5-9/h4-7,10,13H,8H2,1H3,(H,14,15)/t10-/s3
[InChIKey]

QFYGPUAIMQUIOO-JQHDBZEONA-N
[SMILES]

C(O)(=O)C[C@@H](C1=CC=C(O)C=C1)C#CC |&1:4,r|
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
Spectrum DetailBack Directory
[Spectrum Detail]

(3S)-3-(4-Hydroxyphenyl)-4-hexynoic acid(865233-35-8)1HNMR
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