3,5-Dimethoxy-4-hydroxyphenylacetic acid - CAS 4385-56-2

Name: 3,5-Dimethoxy-4-hydroxyphenylacetic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB025482
Product Name:	3,5-Dimethoxy-4-hydroxyphenylacetic acid
CAS:	4385-56-2
Synonyms:	2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
Description:	3,5-Dimethoxy-4-hydroxyphenylacetic acid (CAS# 4385-56-2) is a useful research chemical.
Molecular Weight:	212.20
Molecular Formula:	C10H12O5
Canonical SMILES:	COC1=CC(=CC(=C1O)OC)CC(=O)O
InChI:	InChI=1S/C10H12O5/c1-14-7-3-6(5-9(11)12)4-8(15-2)10(7)13/h3-4,13H,5H2,1-2H3,(H,11,12)
InChI Key:	BQBQKSSTFGCRQL-UHFFFAOYSA-N
Boiling Point:	397.1 °C at 760 mmHg
Melting Point:	127-131 °C (lit.)
Purity:	95 %
Density:	1.299 g/cm³
MDL:	MFCD00016834
LogP:	1.03650

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Related Functional Groups

Carbonyl Compounds

[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
[87-88-7]C6H2Cl2O4
Chloranilic acid
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[2168559-63-3]C8H10ClNO2
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

GHS Hazard Statement:	H302 (86.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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Complexity:	204
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.06847348
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	212.06847348
Rotatable Bond Count:	4
Topological Polar Surface Area:	76 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1