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3-Methoxycatechol

3-Methoxycatechol structure

CAS No:
934-00-9
Formula:
C7H8O3
Chemical Name:
3-Methoxycatechol
Synonyms:
1,2-Benzenediol,3-methoxy-;Pyrocatechol,3-methoxy-;3-Methoxy-1,2-benzenediol;3-Methoxycatechol;3-Methoxypyrocatechol;Pyrogallol 1-monomethyl ether;Pyrogallol 1-methyl ether;2,3-Dihydroxyanisole;1,2-Dihydroxy-3-methoxybenzene;2-Hydroxy-3-methoxyphenol;6-Methoxycatechol;3-Methoxy-o-hydroquinone;3-Methoxy-1,2-dihydroxybenzene;1-O-Methylpyrogallol;NSC 66525
Categories:
Active Pharmaceutical Ingredients > Other Chemical Drugs

Description

SLIGHTLY BEIGE TO LIGHT BROWN CRYSTALLINE SOLID

3-methoxycatechol is a member of the class of catechols that is catechol in which a hydrogen that is ortho to one of the hydroxy groups has been replaced by a methoxy group. It displays agonistic activity against G protein-coupled receptor 35 (GPR35). It has a role as a G-protein-coupled receptor agonist. It is a member of catechols and an aromatic ether. It derives from a pyrogallol.

3-Methoxycatechol Basic Attributes

Molecular Weight：

140.138

Exact Mass：

140.14

EC Number：

213-276-4

UNII：

IC13U5393C

NSC Number：

66525

DSSTox ID：

DTXSID4020826

HScode：

2909500000

Characteristics

PSA：

49.7

XLogP3：

0.70

Appearance：

SLIGHTLY BEIGE TO LIGHT BROWN CRYSTALLINE SOLID

Density：

1.3±0.1 g/cm3

Melting Point：

42.8 °C

Boiling Point：

129 °C @ Press: 10 Torr

Flash Point：

119.5±21.8 °C

Refractive Index：

1.580

Collision Cross Section：

124.7 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

RTECS Number：

CZ9002750

Marks：

Xi:Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3-methoxycatechol

Computed Properties

Molecular Weight:140.14
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:140.047344113
Monoisotopic Mass:140.047344113
Topological Polar Surface Area:49.7
Heavy Atom Count:10
Complexity:105
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes