AG00D8XF

5118-07-0 | 3-Hydroxythiophene-2-carboxylic acid

AG00D8XF

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CAS Number	5118-07-0
Catalog Number	AG00D8XF(AGN-PC-0ABPDR)
Chemical Name	3-Hydroxythiophene-2-carboxylic acid
IUPAC Name	3-hydroxythiophene-2-carboxylic acid
InChI	InChI=1S/C5H4O3S/c6-3-1-2-9-4(3)5(7)8/h1-2,6H,(H,7,8)
InChI Key	RVDUJCGAAPQDBO-UHFFFAOYSA-N
MDL Number	MFCD09414719
Molecular Formula	C5H4O3S
Molecular Weight	144.1485
SMILES	O=C(C1=C(O)C=CS1)O
Synonyms	3-hydroxythiophene-2-carboxylic acid, 5118-07-0, 3-hydroxy-2-Thiophenecarboxylic acid, 2-Thiophenecarboxylicacid, 3-hydroxy-, C5H4O3S, SCHEMBL1162100, CTK1G9141, DTXSID90716204, RVDUJCGAAPQDBO-UHFFFAOYSA-N, KS-00002A6O, 7114AB, MFCD09414719, SBB053061, ZINC20357767, 3-Hydroxy-thiophene-2-carboxylic acid, AKOS006380485, 2-(dihydroxymethylidene)-3-thiophenone, PS-4418, VT20235, 2-Thiophenecarboxylic acid, 3-hydroxy-, AJ-77172, AK113911, EN001872, 2-[bis(oxidanyl)methylidene]thiophen-3-one, DB-071317, FT-0656790, K-9429, 3-hydroxythiophene-2-carboxylic acid, AldrichCPR, A828480, I09-0979,

Complexity	125
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	143.988g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	144.144g/mol
Monoisotopic Mass	143.988g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	85.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number