AG00CLXJ

32822-84-7 | Methyl 3-hydroxy-4,5-dimethylthiophene-2-carboxylate

AG00CLXJ

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CAS Number	32822-84-7
Catalog Number	AG00CLXJ(AGN-PC-0AAPOA)
Chemical Name	Methyl 3-hydroxy-4,5-dimethylthiophene-2-carboxylate
IUPAC Name	methyl 3-hydroxy-4,5-dimethylthiophene-2-carboxylate
InChI	InChI=1S/C8H10O3S/c1-4-5(2)12-7(6(4)9)8(10)11-3/h9H,1-3H3
InChI Key	UKXGHKYPVCZEIW-UHFFFAOYSA-N
MDL Number	MFCD15071706
Molecular Formula	C8H10O3S
Molecular Weight	186.2282
SMILES	O=C(C1=C(O)C(C)=C(C)S1)OC
Synonyms	Methyl 3-hydroxy-4,5-dimethylthiophene-2-carboxylate, 32822-84-7, AK-38551, Methyl 4,5-dimethyl-3-hydroxythiophene-2-carboxylate, SCHEMBL9371067, CTK8B8099, DTXSID90715858, UKXGHKYPVCZEIW-UHFFFAOYSA-N, KS-00000I1T, ANW-59341, MFCD15071706, ZINC51943298, AKOS016002168, CM-1580, DS-2282, FCH1187011, MB14689, CJ-20678, AJ-111764, AX8163256, DB-068694, TC-148086, 4CH-003535, CS-0061165, FT-0698242, ST24031042, Methyl3-hydroxy-4,5-dimethylthiophene-2-carboxylate,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.035g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	186.225g/mol
Monoisotopic Mass	186.035g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	74.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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