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Structure

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

CAS
184901-84-6
Catalog Number
ACM184901846
Category
Other Products
Molecular Weight
186.16
Molecular Formula
C8H8 O4 . H2 O

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Specification

Synonyms
p-Hydroxymandelic acid, 168327_ALDRICH, 4-Hydroxymandelic acid monohydrate, 184901-84-6
IUPAC Name
2-hydroxy-2-(4-hydroxyphenyl)acetic acid hydrate
Canonical SMILES
C1=CC(=CC=C1C(C(=O)O)O)O.O
InChI Key
ATPBHLAWGXOMOR-UHFFFAOYSA-N
Boiling Point
405.4ºC at 760mmHg
Melting Point
82-85ºC(lit.)
Flash Point
213.1ºC
Density
1.48g/cm³
Exact Mass
186.05300
Hazard Statements
Xi
H-Bond Acceptor
5
H-Bond Donor
4
Safety Description
S26
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