AG003MWM

46029-22-5 | 5-Methylthiophene-2,3-dicarboxylic acid

AG003MWM

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CAS Number	46029-22-5
Catalog Number	AG003MWM(AGN-PC-04UYPU)
Chemical Name	5-Methylthiophene-2,3-dicarboxylic acid
IUPAC Name	5-methylthiophene-2,3-dicarboxylic acid
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 Number	MFCD14705596
Molecular Formula	C7H6O4S
Molecular Weight	186.1851
SMILES	CC1SC(C(O)=O)=C(C(O)=O)C=1
Synonyms	5-methylthiophene-2,3-dicarboxylic acid, 46029-22-5, 5-methyl-2,3-thiophenedicarboxylic acid, 2,3-Thiophenedicarboxylic acid, 5-methyl-, AC1Q2HR7, SCHEMBL4547877, CTK6B4369, KS-00000CVR, DTXSID60648164, 6384AJ, MFCD14705596, ZINC39947449, AKOS000282587, 5-Methylthiophene-2,3-dicarboxylicAcid, MCULE-4153659286, QC-5992, TRA0078068, 5-methyl-thiophene-2,3-dicarboxylic acid, AS-32151, SY023152, AB0053544, EN300-56023, Z-3377, MFCD14705596 (97+%), AU-059/43519066, Z1259341106, C7H6O4S,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.999g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	186.181g/mol
Monoisotopic Mass	185.999g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	103A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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