Methyl 3-hydroxythiophene-2-carboxylate - CAS 5118-06-9

Catalog:	BB027361
Product Name:	Methyl 3-hydroxythiophene-2-carboxylate
CAS:	5118-06-9
Synonyms:	2-Thiophenecarboxylic acid, 3-hydroxy-, methyl ester; 2-(Carbomethoxy)-3-hydroxythiophene; 3-Hydroxy-2-(methoxycarbonyl)thiophene; 3-Hydroxy-2-thiophenecarboxylic acid methyl ester; Methyl 3-hydroxy-2-thiophenecarboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 3-hydroxythiophene-2-carboxylate
Molecular Weight:	158.18
Molecular Formula:	C6H6O3S
Canonical SMILES:	COC(=O)C1=C(C=CS1)O
InChI:	InChI=1S/C6H6O3S/c1-9-6(8)5-4(7)2-3-10-5/h2-3,7H,1H3
InChI Key:	SEMVRXMFCHXUMD-UHFFFAOYSA-N
Boiling Point:	108°C at 13 Torr
Melting Point:	40°C
Density:	1.372±0.06 g/cm3
MDL:	MFCD00055642
LogP:	1.24030

Publication Number	Title	Priority Date
WO-2021080508-A1	Method and system for synthesising compounds	20191023
WO-2021060281-A1	Prostaglandin e2 receptor ep2/ep4 dual antagonist	20190924
WO-2021047674-A1	Bicyclic compound that acts as crbn protein regulator	20190912
WO-2020264581-A1	Boron containing compounds and their uses	20190628
CN-110785423-A	Tricyclic derivative inhibitor, preparation method and application thereof	20180530

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Thiophenes

[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[113387-75-0]
Methyl 3-hydroxy-5-(1H-pyrazol-1-yl)thiophene-2-carboxylate
[63273-26-7]
5-(Bromomethyl)-2-thiophenecarboxylic Acid
[306934-99-6]
Ethyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate
[315683-17-1]
Ethyl 2-amino-4-(4-isopropylphenyl)thiophene-3-carboxylate
[329082-04-4]
Ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

GHS Hazard Statement:	H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.00376522
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	158.00376522
Rotatable Bond Count:	2
Topological Polar Surface Area:	74.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2