AG00DJMF

5556-22-9 | 3-Hydroxy-5-methyl-2-thiophenecarboxylic acid methyl ester

AG00DJMF

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CAS Number	5556-22-9
Catalog Number	AG00DJMF(AGN-PC-0JTD1P)
Chemical Name	3-Hydroxy-5-methyl-2-thiophenecarboxylic acid methyl ester
IUPAC Name	methyl 3-hydroxy-5-methylthiophene-2-carboxylate
InChI	InChI=1S/C7H8O3S/c1-4-3-5(8)6(11-4)7(9)10-2/h3,8H,1-2H3
InChI Key	PLTCMJBEOCSRII-UHFFFAOYSA-N
MDL Number	MFCD01859968
Molecular Formula	C7H8O3S
Molecular Weight	172.2016
SMILES	OC1=C(SC(=C1)C)C(=O)OC
Synonyms	Methyl 3-hydroxy-5-methyl-2-thiophenecarboxylate, 5556-22-9, methyl 3-hydroxy-5-methylthiophene-2-carboxylate, PLTCMJBEOCSRII-UHFFFAOYSA-N, 3-Hydroxy-5-methyl-2-thiophenecarboxylic acid methyl ester, 2-Thiophenecarboxylic acid, 3-hydroxy-5-methyl-, methyl ester, AC1NSYMK, AC1OA2UA, SCHEMBL7670938, CTK1F6571, DTXSID60343167, KS-00000I2Y, ZINC4039359, ANW-50402, MFCD01859968, SBB015383, STL227715, AKOS000267120, AN-3816, CM-1582, DS-0993, FS-3091, MB02072, MCULE-1665408423, RP23451, AJ-47790, AK-38893, BR-38893, CJ-11281, AB0025481, DB-072011, TR-037078, 4CH-008914, FT-0739176, ST24031043, ST45174663, W6953, EN300-76654, S-6104, J-522176, Methyl 3-hydroxy-5-methyl-2-thiophenecarboxylate #, 2-[hydroxy(methoxy)methylene]-5-methyl-thiophen-3-one, 2-[hydroxy(methoxy)methylidene]-5-methylthiophen-3-one, F0815-0001, 3-hydroxy-5-methylthiophene-2-carboxylic acid methyl ester, (2Z)-2-[hydroxy(methoxy)methylidene]-5-methylthiophen-3-one, C7H8O3S, ZINC04039359, CID5372601, CID6797471, Methyl3-hydroxy-5-methyl-2-thiophenecarboxylate, 3-Hydroxy-5-methyl-2-thiophenecarboxylicacidmethylester,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.019g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	172.198g/mol
Monoisotopic Mass	172.019g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	74.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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