5-Methylthiophene-2,3-dicarboxylic Acid - CAS 46029-22-5

Catalog:	BB026059
Product Name:	5-Methylthiophene-2,3-dicarboxylic Acid
CAS:	46029-22-5
Synonyms:	5-methylthiophene-2,3-dicarboxylic acid; 5-methylthiophene-2,3-dicarboxylic acid

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Computed Properties

IUPAC Name:	5-methylthiophene-2,3-dicarboxylic acid
Description:	5-Methylthiophene-2,3-dicarboxylic Acid (CAS# 46029-22-5) is a useful research chemical.
Molecular Weight:	186.19
Molecular Formula:	C7H6O4S
Canonical SMILES:	CC1=CC(=C(S1)C(=O)O)C(=O)O
InChI:	InChI=1S/C7H6O4S/c1-3-2-4(6(8)9)5(12-3)7(10)11/h2H,1H3,(H,8,9)(H,10,11)
InChI Key:	QJPLLRMTCIBCFS-UHFFFAOYSA-N
MDL:	MFCD14705596
LogP:	1.45290

Publication Number	Title	Priority Date
US-2009326187-A1	SYNTHESIS OF THIENO[3,4-b]THIOPHENE, THIENO[3,4-b]FURAN, RELATED COMPOUNDS AND THEIR DERIVATIVES AND USE THEREOF	20080626
US-8168671-B2	Synthesis of thieno[3,4-b]thiophene, thieno[3,4-b]furan, related compounds and their derivatives and use thereof	20080626
EP-1678218-A1	Components and catalysts for the polymerization of olefins	20031028
US-2007106039-A1	Components and catalysts for the polymerization of olefins	20031028
US-7371802-B2	Components and catalysts for the polymerization of olefins	20031028

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Carbonyl Compounds

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GHS Hazard Statement:	H302 (100%): 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

Complexity:	216
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.99867984
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	185.99867984
Rotatable Bond Count:	2
Topological Polar Surface Area:	103 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4