2-Hydroxy-2-(2-hydroxyphenyl)acetic acid

HCID 161263CAS 1678-71-3
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)C(O)c1ccccc1O
InChIKey
TWLSOWAQVSIFIF-UHFFFAOYSA-N
Molecular formula
C8H8O4
Average molar mass
168.15 g/mol
Monoisotopic mass
168.04225874

Names & identifiers

Preferred name
2-Hydroxy-2-(2-hydroxyphenyl)acetic acid
IUPAC
2-hydroxy-2-(2-hydroxyphenyl)acetic acid

Names & synonyms

2-hydroxy-2-(2-hydroxyphenyl)acetic acidRefChem:473046982-626-21678-71-3hydroxy(2-hydroxyphenyl)acetic acido-HydroxyzimtsaureNSC126698SCHEMBL974062o-Hydroxymandelic acid (OHMA)SCHEMBL31107080TWLSOWAQVSIFIF-UHFFFAOYSA-NDTXSID901354534
Show more names
BAA67871AT46403NSC-126698EN300-2001419

Database identifiers

CAS
1678-71-3
PubChem CID
161263
DTXSID
DTXSID901354534
EC Number
982-626-2
Nikkaji
J454.881G

Properties

Computed structural properties

XLogP
1
Topological polar surface area
77.8 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
12

Experimental & physicochemical properties

DrugsPharmaceuticals -> Metabolite of Phenylephrine

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Related reactions

1 records
New reaction record

Linked notes

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