Tropic acid, (+)-
Completing data — refresh the page later to see the latest
Basic information
- CAS
17126-67-9- Standard SMILES
O=C(O)[C@@H](CO)c1ccccc1- InChIKey
JACRWUWPXAESPB-QMMMGPOBSA-N- Molecular formula
- C9H10O3
- Average molar mass
- 166.17 g/mol
- Monoisotopic mass
- 166.06299418
Overview
(R)-tropic acid is a tropic acid. It is functionally related to a (S)-hydratropic acid. It is an enantiomer of a (S)-tropic acid.
Names & identifiers
- Preferred name
- Tropic acid, (+)-
- IUPAC
- (2R)-3-hydroxy-2-phenylpropanoic acid
- English name
- (R)-2-Phenyl-3-hydroxypropionic acid
- Molecular formula
- C9H10O3
- Molecular weight
- 166.17
Names & synonyms
17126-67-9(R)-tropic acid(+)-Tropic acidD-Tropic acid(2R)-3-hydroxy-2-phenylpropanoic acidTropic acid, (+)-D-(+)-Tropic acid(+)-(R)-Tropic acid(R)-(+)-Tropic acidTropic acid, (R)-(+)-(+)-3-Hydroxy-2-phenylpropionic acidQE0870Q3EQ
Show more names
(R)-TROPIC?ACIDAtropine Impurity 21Atropine Impurity 12(R)-2-Phenyl-3-hydroxypropionic acid(R)-Hyoscine Butylbromide EP Impurity BAtropine Impurity 1 ((+)-R-Tropic Acid)[R,(+)]-3-Hydroxy-2-phenylpropionic acid(R)-3-Hydroxy-2-phenylpropanoic acid - [H91090]
Benzeneacetic acid, alpha-(hydroxymethyl)-, (alphaR)-(+)-alpha-(Hydroxymethyl)benzeneacetic acidCHEBI:30767DTXSID70169052Benzeneacetic acid, alpha-(hydroxymethyl)-, (R)-RefChem:1100568DTXCID7091543(R)-3-Hydroxy-2-phenylpropanoic acid
Database identifiers
- CAS
17126-67-9- PubChem CID
- 643328
- DTXSID
DTXSID70169052- ChEBI
CHEBI:30767- UNII
- QE0870Q3EQ
- Nikkaji
- J76.579A
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Melting point
- 120 °C · >120°C (dec.)
- Boiling point
- 322.523 · 322.523±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.262 · 1.262±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Acetone (Sparingly), DMSO (Sparingly), Methanol (Slightly)
- form
- Solid
- pka
- 3.852 · 3.852±0.10(predicted)
- color
- White to Light Brown
- FDA UNII
- 870 Q3EQ · QE0870Q3EQ
Chemistry & industry
Additional notes
DefinitionChEBI: (R)-tropic acid is a tropic acid. It is functionally related to a (S)-hydratropic acid. It is an enantiomer of a (S)-tropic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…