Thiophene-2,3-dicarboxylic Acid - CAS 1451-95-2

Catalog:	BB009899
Product Name:	Thiophene-2,3-dicarboxylic Acid
CAS:	1451-95-2
Synonyms:	thiophene-2,3-dicarboxylic acid; thiophene-2,3-dicarboxylic acid

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Computed Properties

IUPAC Name:	thiophene-2,3-dicarboxylic acid
Description:	Thiophene-2,3-dicarboxylic Acid (CAS# 1451-95-2) is a useful research chemical.
Molecular Weight:	172.16
Molecular Formula:	C6H4O4S
Canonical SMILES:	C1=CSC(=C1C(=O)O)C(=O)O
InChI:	InChI=1S/C6H4O4S/c7-5(8)3-1-2-11-4(3)6(9)10/h1-2H,(H,7,8)(H,9,10)
InChI Key:	HIHKYDVSWLFRAY-UHFFFAOYSA-N
Boiling Point:	405.9 °C at 760 mmHg
Density:	1.655 g/cm³
Appearance:	Solid
LogP:	1.14450

Publication Number	Title	Priority Date
CN-113321796-A	High-transparency high-heat-resistance copolyester resin and preparation method thereof	20210526
CN-113072698-A	Antibacterial high-temperature-resistant polyamide and synthesis method thereof	20210309
CN-113072698-B	Antibacterial high-temperature-resistant polyamide and synthesis method thereof	20210309
CN-112920402-A	High-temperature-resistant nylon and synthetic method thereof	20210301
CN-112592471-A	High-heat-resistance high-toughness polyester, polyester product, preparation method and application thereof	20210226

PMID	Publication Date	Title	Journal
17388586	20070430	Structure and magnetic properties of a new cobalt(II) thiophenedicarboxylate coordination polymer showing unprecedented coordination	Inorganic chemistry

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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:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.98302978
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	171.98302978
Rotatable Bond Count:	2
Topological Polar Surface Area:	103 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1