3-Methoxythiophene-2-carbaldehyde - CAS 35134-07-7

Catalog:	BB022489
Product Name:	3-Methoxythiophene-2-carbaldehyde
CAS:	35134-07-7
Synonyms:	3-methoxy-2-thiophenecarboxaldehyde; 3-methoxythiophene-2-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	3-methoxythiophene-2-carbaldehyde
Description:	3-Methoxythiophene-2-carbaldehyde (CAS# 35134-07-7) is a useful research chemical.
Molecular Weight:	142.18
Molecular Formula:	C6H6O2S
Canonical SMILES:	COC1=C(SC=C1)C=O
InChI:	InChI=1S/C6H6O2S/c1-8-5-2-3-9-6(5)4-7/h2-4H,1H3
InChI Key:	KGJDTMQUUPIAEF-UHFFFAOYSA-N
MDL:	MFCD01571098
LogP:	1.56920

Publication Number	Title	Priority Date
WO-2021061929-A1	Bicyclic carboxylates as modulators of transporters and uses thereof	20190925
WO-2019191599-A1	Bicyclic enone carboxylates as modulators of transporters and uses thereof	20180330
AU-2019245334-A1	Bicyclic enone carboxylates as modulators of transporters and uses thereof	20180330
CN-112105356-A	Bicyclic ketene carboxylic ester compound as regulator of transport protein and application thereof	20180330
BR-112020019702-A2	BICYCLIC ENONA CARBOXYLATES AS MODULATORS OF TRANSPORTERS AND USES OF THE SAME	20180330

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Carbonyl Compounds

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.00885060
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	142.00885060
Rotatable Bond Count:	2
Topological Polar Surface Area:	54.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4