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(R)-2-Hydroxy-4-phenylbutyric acid

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Name

(R)-2-Hydroxy-4-phenylbutyric acid

EINECS
CAS No. 29678-81-7 Density 1.219 g/cm3
Solubility Melting Point 114-117 °C(lit.)
Formula C10H12O3 Boiling Point 356.9 °C at 760 mmHg
Molecular Weight 180.20 Flash Point 183.9 °C
Transport Information Appearance
Safety 22-24/25 Risk Codes
Molecular Structure Molecular Structure of 29678-81-7 (Benzenebutanoic acid, a-hydroxy-, (aR)-) Hazard Symbols FlammableF
Synonyms

Benzenebutanoicacid, a-hydroxy-, (R)-;Butyric acid,2-hydroxy-4-phenyl-, D-(-)- (8CI);(2R)-2-Hydroxy-4-phenylbutanoic acid;(R)-(-)-2-Hydroxy-4-phenylbutyric acid;(R)-2-Hydroxy-4-phenylbutanoic acid;(R)-2-Hydroxy-4-phenylbutyric acid;D-(-)-Benzyllactic acid;(R)-2-hydroxy-4-phenylbutyrate;

 

(R)-2-Hydroxy-4-phenylbutyric acid Specification

The Benzenebutanoic acid, α-hydroxy-, (αR)- is an organic compound with the formula C10H12O3. The systematic name of this chemical is (2R)-2-hydroxy-4-phenylbutanoic acid and the CAS registry number is 29678-81-7. The product's categories are Chiral; Chiral Compound; Carboxylic Acids; Chiral Building Blocks; Organic Building Blocks. When use it, people should not breathe dust and avoid contact with skin and eyes. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of Benzenebutanoic acid, α-hydroxy-, (αR)- can be summarized as: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.55; (4)ACD/LogD (pH 7.4): -1.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.23; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 48.12 cm3; (15)Molar Volume: 147.7 cm3; (16)Polarizability: 19.07×10-24 cm3; (17)Surface Tension: 53.3 dyne/cm; (18)Density: 1.219 g/cm3; (19)Flash Point: 183.9 °C; (20)Enthalpy of Vaporization: 63.55 kJ/mol; (21)Boiling Point: 356.9 °C at 760 mmHg; (22)Vapour Pressure: 1.03E-05 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C(O)[C@H](O)CCc1ccccc1
2. InChI:InChI=1/C10H12O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)/t9-/m1/s1
3. InChIKey:JNJCEALGCZSIGB-SECBINFHBW
4. Std. InChI:InChI=1S/C10H12O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)/t9-/m1/s1
5. Std. InChIKey:JNJCEALGCZSIGB-SECBINFHSA-N

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