(3R)-3-(4-hydroxyphenyl)hex-4-ynoic acid
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Basic information
- CAS
1147732-37-3- Standard SMILES
CC#C[C@H](CC(=O)O)c1ccc(O)cc1- InChIKey
QFYGPUAIMQUIOO-SNVBAGLBSA-N- Molecular formula
- C12H12O3
- Average molar mass
- 204.22 g/mol
Names & identifiers
- Preferred name
- (3R)-3-(4-hydroxyphenyl)hex-4-ynoic acid
- IUPAC
- (3R)-3-(4-hydroxyphenyl)hex-4-ynoic acid
- English name
- (R)-3-(4-hydroxyphenyl)-hex-4-ynoic acid
- Molecular formula
- C12H12O3
- Molecular weight
- 204.22
Names & synonyms
1147732-37-3(R)-3-(4-Hydroxyphenyl)hex-4-ynoic acid(3R)-3-(4-hydroxyphenyl)hex-4-ynoic acid(R)-3-(4-hydroxyphenyl)-hex-4-ynoic acidMFCD30489239SCHEMBL3396736AS-64609(R)-3-(4-Hydroxyphenyl)hex-4-ynoicacid(R)-3-(4-hydroxyphenyl)-hex-QFYGPUAIMQUIOO-SNVBAGLBSA-NAKOS030527734SY343762
Show more names
(3R)-3-(4-Hydroxy phenyl)-4-hexynoic acid(R)-3-(4-hydroxyphenyl)-hex-4-ynoic acid（WS203620）(3R)-3-(4-hydroxyphenyl)hex-4-ynoic acid - [H81447]Benzenepropanoic acid, 4-hydroxy-β-1-propyn-1-yl-, (βR)-
(R)-3-(4-Hydroxyphenyl)-4-hexynoic AcidDB-179452(R)-3-(4-hydroxyphenyl)-hex-4-inoic acidCS-0059916W17586F603144
Database identifiers
- CAS
1147732-37-3
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Boiling point
- 398.2 · 398.2±37.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 4.23 · 4.23±0.10(Predicted)
- Appearance
- White to off-white Solid
- optical activity
- -4.767 ° · -4.767°(C=0.01 g/mL, CHCL3, 20°C, 589nm)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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