Basic information
- Name:
Benzeneacetic acid, a-hydroxy-4-methoxy-, (aR)-
- Superlist Name:
- D-4-Methoxymandelic acid
- CAS No.:
20714-89-0
- Molecular Structure:
- Formula:
- C9H10O4
- Molecular Weight:
- 182.17
- Synonyms:
- Benzeneaceticacid, a-hydroxy-4-methoxy-, (R)-;Mandelic acid, p-methoxy-, (R)-(-)- (8CI);(R)-2-Hydroxy-2-(4-methoxyphenyl)ethanoicacid;(R)-4-Methoxymandelic acid;(R)-p-Methoxymandelic acid;(aR)-a-Hydroxy-4-methoxybenzeneacetic acid;4-Methoxy-D-mandelic acid;D-4-Methoxymandelic acid;
- Density:
- 1.309 g/cm3
- Boiling Point:
- 370.361 °C at 760 mmHg
- Flash Point:
- 152.648 °C
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Specification
The D-4-Methoxymandelic acid with the cas number 20714-89-0 is also called Benzeneacetic acid, a-hydroxy-4-methoxy-, (aR)-. The systematic name is hydroxy(4-methoxyphenyl)acetic acid. Its molecular formula is C9H10O4. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 0.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.64; (4)ACD/LogD (pH 7.4): -2.82; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 45.58 cm3; (15)Molar Volume: 139.1 cm3; (16)Polarizability: 18.07×10-24cm3; (17)Surface Tension: 54.3 dyne/cm; (18)Enthalpy of Vaporization: 65.12 kJ/mol; (19)Vapour Pressure: 3.86×10-6 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(O)c1ccc(OC)cc1
(2)InChI: InChI=1/C9H10O4/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8,10H,1H3,(H,11,12)
(3)InChIKey: ITECRQOOEQWFPE-UHFFFAOYAL