AG00AD29

19156-52-6 | 4,5-Dimethyl-3-thiophenecarboxylic acid

AG00AD29

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CAS Number	19156-52-6
Catalog Number	AG00AD29(AGN-PC-0WB5N9)
Chemical Name	4,5-Dimethyl-3-thiophenecarboxylic acid
IUPAC Name	4,5-dimethylthiophene-3-carboxylic acid
InChI	InChI=1S/C7H8O2S/c1-4-5(2)10-3-6(4)7(8)9/h3H,1-2H3,(H,8,9)
InChI Key	METLBUIFJAMVMV-UHFFFAOYSA-N
MDL Number	MFCD01859967
Molecular Formula	C7H8O2S
Molecular Weight	156.2022
SMILES	CC=1C(=CSC1C)C(=O)O
Synonyms	4,5-dimethylthiophene-3-carboxylic acid, 19156-52-6, MFCD01859967, BAS 10144467, AC1LGCD7, SCHEMBL14485339, CTK7J0724, DTXSID20356016, ZINC334221, ALBB-000919, 6451AD, BBL016567, SBB027694, STK424551, AKOS000308310, MCULE-5616649297, 4,5-Dimethyl-3-thiophenecarboxylic acid, 4,5-Dimethyl-thiophene-3-carboxylic acid, AJ-19647, CS-12583, SY096771, AB0091388, TR-051326, CS-0036851, ST45055082, EC-000.2261, MFCD01859967 (95%), W-8736, 4,5-dimethylthiophene-3-carboxylic acid(SALTDATA, J-012383, F9995-2426, C7H8O2S, CID818943, 3-Amino-3-imino-N-methylpropanamide hydrochloride,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.025g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	156.199g/mol
Monoisotopic Mass	156.025g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	65.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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