AG0033R4

23806-24-8 | 3-Methyl-2-thiophenecarboxylic acid

AG0033R4

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CAS Number	23806-24-8
Catalog Number	AG0033R4(AGN-PC-0WA8U3)
Chemical Name	3-Methyl-2-thiophenecarboxylic acid
EC Number	245-894-5
IUPAC Name	3-methylthiophene-2-carboxylic acid
InChI	InChI=1S/C6H6O2S/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8)
InChI Key	IFLKEBSJTZGCJG-UHFFFAOYSA-N
MDL Number	MFCD00005438
Molecular Formula	C6H6O2S
Molecular Weight	142.1756
SMILES	O=C(O)c1c(ccs1)C
Synonyms	3-Methyl-2-thiophenecarboxylic acid, 3-Methylthiophene-2-carboxylic acid, 23806-24-8, 3-Methyl-2-thenoic acid, 3-methyl-2-thiophene carboxylic acid, 2-Thiophenecarboxylic acid, 3-methyl-, 2-Carboxy-3-methylthiophene, 3-methyl-2-thiophenecarboxylic, IFLKEBSJTZGCJG-UHFFFAOYSA-N, 3-methyl-thiophene-2-carboxylic acid, MFCD00005438, 3-Methyl-2-thiophenecarboxylicacid, EINECS 245-894-5, PubChem5182, ACMC-1CINC, AC1L3JMI, AC1Q2GHR, AC1Q2RAX, 3-methyl-2-thienoic acid, KSC201S5N, BIDD:GT0066, SCHEMBL159280, Jsp004764, CTK1A1956, IFLKEBSJTZGCJG-UHFFFAOYSA-, DTXSID20178518, BDBM185154, ZINC152287, ACN-S004049, ACT02284, ALBB-005998, STR06162, 3-methyl-2-thiopene carboxylic acid, ANW-25227, BBL025680, GEO-01958, HTS001450, SBB086237, STK503660, 2-Thiophenecarboxylicacid, 3-methyl-, AKOS000118876, AB00421, AC-2519, CS-W004782, LS20659, MCULE-1266721644, PS-3270, RP01320, RTR-011026, TRA0047132, AJ-12718, AK-25644, AN-13888, BR-25644, EN001198, SC-02755, SY001797, U307, 3-Methyl-2-thiophenecarboxylic acid, 98%, AB0019195, AB1001251, DB-002521, ST2417789, TL8001966, TR-011026, AM20090260, FT-0083066, FT-0616191, M1459, ST50306827, AC30341 (3), EN300-19561, K-6456, M19900, 119033-EP2298756A1, W-107374, InChI=1/C6H6O2S/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8), 60P, C6H6O2S, C6-H6-O2-S, CID90269, AR-1F4595, ACN-037742, 3-Methyl-2-thiophenecarboxylic acid, 98% - 25G 25g, 2433-97-8,

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	1.8

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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