3-Hydroxymandelic acid - CAS 17119-15-2

Name: 3-Hydroxymandelic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB012725
Product Name:	3-Hydroxymandelic acid
CAS:	17119-15-2
Synonyms:	2-hydroxy-2-(3-hydroxyphenyl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-hydroxy-2-(3-hydroxyphenyl)acetic acid
Description:	3-Hydroxymandelic acid (CAS# 17119-15-2) is a compound useful in organic synthesis.
Molecular Weight:	168.15
Molecular Formula:	C8H8O4
Canonical SMILES:	C1=CC(=CC(=C1)O)C(C(=O)O)O
InChI:	InChI=1S/C8H8O4/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)
InChI Key:	OLSDAJRAVOVKLG-UHFFFAOYSA-N
Boiling Point:	424.3 °C at 760 mmHg
Melting Point:	128-132 °C
Purity:	95 %
Density:	1.48 g/cm³
Solubility:	31 mg/mL
Appearance:	Off-white solid
MDL:	MFCD00042723
LogP:	0.51020

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]C6H2Cl2O4
Chloranilic acid
[17746-05-3]C11H21ClO
Undecanoyl chloride

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PMID	Publication Date	Title	Journal
26267590	20150901	Pharmacokinetics, safety, and cardiovascular tolerability of phenylephrine HCl 10, 20, and 30 mg after a single oral administration in healthy volunteers	Clinical drug investigation
22158714	20120201	Resolving phenylalanine metabolism sheds light on natural synthesis of penicillin G in Penicillium chrysogenum	Eukaryotic cell
14730970	20040127	Engineering p-hydroxyphenylpyruvate dioxygenase to a p-hydroxymandelate synthase and evidence for the proposed benzene oxide intermediate in homogentisate formation	Biochemistry
12627454	20030301	A glycopeptide antibiotic chiral stationary phase for the enantiomer resolution of hydroxy acid derivatives by capillary electrochromatography	Electrophoresis
14578550	20021201	Managed care and the quality of substance abuse treatment	The journal of mental health policy and economics

Complexity:	168
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.04225873
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	168.04225873
Rotatable Bond Count:	2
Topological Polar Surface Area:	77.8
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1