AG008NQL

78071-30-4 | 4-Methylthiophene-3-carboxylic acid

AG008NQL

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CAS Number	78071-30-4
Catalog Number	AG008NQL(AGN-PC-00KDGA)
Chemical Name	4-Methylthiophene-3-carboxylic acid
IUPAC Name	4-methylthiophene-3-carboxylic acid
InChI	InChI=1S/C6H6O2S/c1-4-2-9-3-5(4)6(7)8/h2-3H,1H3,(H,7,8)
InChI Key	LRFIHWGUGBXFEC-UHFFFAOYSA-N
MDL Number	MFCD02257717
Molecular Formula	C6H6O2S
Molecular Weight	142.1756
SMILES	O=C(C1=CSC=C1C)O
Synonyms	4-METHYLTHIOPHENE-3-CARBOXYLIC ACID, 78071-30-4, 4-methyl-3-Thiophenecarboxylic acid, 3-Thiophenecarboxylic acid, 4-methyl-, PubChem24253, SCHEMBL128959, CTK8B7137, DTXSID90514545, LRFIHWGUGBXFEC-UHFFFAOYSA-N, ANW-56480, MFCD02257717, ZINC39366505, AKOS005167057, AM81205, MCULE-1882159775, MP-1226, QC-5996, AC-27190, AK-64461, AN-36765, DS-15577, AB0054068, AJ-100023, DB-075407, TX-017074, 4CH-010438, FT-0752785, ST24023623, Z5123, 071M304, F0001-2063, Z1357774273, C6H6O2S, 4-METHYLTHIOPHENE-3-CARBOXYLICACID,

Complexity	124
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	142.009g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	142.172g/mol
Monoisotopic Mass	142.009g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	65.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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

Lot Number