AG005OZP

71050-40-3 | 4-METHOXYTHIOPHENE-3-CARBOXYLIC ACID

AG005OZP

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CAS Number	71050-40-3
Catalog Number	AG005OZP(AGN-PC-0KKYUK)
Chemical Name	4-METHOXYTHIOPHENE-3-CARBOXYLIC ACID
IUPAC Name	4-methoxythiophene-3-carboxylic acid
InChI	InChI=1S/C6H6O3S/c1-9-5-3-10-2-4(5)6(7)8/h2-3H,1H3,(H,7,8)
InChI Key	KEYPLCJVNVJJQK-UHFFFAOYSA-N
MDL Number	MFCD00067997
Molecular Formula	C6H6O3S
Molecular Weight	158.1750
SMILES	O=C(C1=CSC=C1OC)O
Synonyms	4-methoxythiophene-3-carboxylic acid, 71050-40-3, 4-Methoxythiophene-3-CarboxylicAcid, 3-Thiophenecarboxylicacid, 4-methoxy-, 3-Thiophenecarboxylic acid, 4-methoxy-, AK-36174, Maybridge1_004713, AC1MCT5T, 4-methoxy-3-thienoic acid, 3-Carboxy-4-methoxythiophene, MLS000850547, SCHEMBL1432436, CHEMBL1329646, CTK2H6859, HMS554O05, DTXSID20380891, KEYPLCJVNVJJQK-UHFFFAOYSA-N, HMS2807F05, ZINC160870, KS-00000KU1, ZX-AT019302, ANW-49124, CCG-47230, FCH918777, MFCD00067997, SBB087295, 4-Methoxy-thiophene-3-carboxylic acid, AKOS006228819, AS-5493, DS-0987, MCULE-6921030563, OR25041, RP02014, VT20287, 4-(Methyloxy)-3-thiophenecarboxylic acid, AJ-15647, AM804262, BP-11253, BR-36174, CC-19806, EN002350, SMR000456565, AB0001882, AX8003558, DB-055483, ST2418465, TC-137869, 4CH-013711, A9333, FT-0618969, W8013, S-4551, 4-methoxythiophene-3-carboxylic acid, AldrichCPR, C-03777, I09-1761, J-515681, SR-01000636863-1, C6H6O3S, CID2778379,

Complexity	137
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.004g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	158.171g/mol
Monoisotopic Mass	158.004g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	74.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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