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Benzeneacetic acid, a,4-dihydroxy-, hydrate (1:1)

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Name

Benzeneacetic acid, a,4-dihydroxy-, hydrate (1:1)

EINECS 214-839-7
CAS No. 184901-84-6 Density 1.48g/cm3
PSA 86.99000 LogP 0.44590
Solubility Soluble in water. Melting Point 82-85 °C(lit.)
Formula C8H10O5 Boiling Point 497.6 °C at 760 mmHg
Molecular Weight 186.162 Flash Point 254.7 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 184901-84-6 (DL-4-HYDROXYMANDELIC ACID MONOHYDRATE) Hazard Symbols IrritantXi
Synonyms

4-Hydroxymandelic acid monohydrate;

 

Benzeneacetic acid, a,4-dihydroxy-, hydrate (1:1) Specification

The Benzeneacetic acid, a,4-dihydroxy-, hydrate (1:1), with the CAS registry number 184901-84-6, is also known as 4-Hydroxymandelic acid monohydrate. It belongs to the product categories of C8; Carbonyl Compounds; Carboxylic Acids. Its EINECS registry number is 214-839-7. This chemical's molecular formula is C8H10O5 and molecular weight is 186.162. What's more, its IUPAC name is 2-Hydroxy-2-(4-hydroxyphenyl)acetic acid hydrate.

Physical properties about Benzeneacetic acid, a,4-dihydroxy-, hydrate (1:1) are: (1)# of Rule of 5 Violations: 1; (2)#H bond acceptors: 5; (3)#H bond donors: 5; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 86.99 Å2; (6)Flash Point: 254.7 °C; (7)Enthalpy of Vaporization: 80.63 kJ/mol; (8)Boiling Point: 497.6 °C at 760 mmHg; (9)Vapour Pressure: 1.01E-10 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(c1ccc(O)cc1)C(O)=O.O
(2) InChI: InChI=1/C8H8O4.H2O/c9-6-3-1-5(2-4-6)7(10)8(11)12;/h1-4,7,9-10H,(H,11,12);1H2
(3) InChIKey: ATPBHLAWGXOMOR-UHFFFAOYAU

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