AG002XPA

29212-22-4 | 2-Thiophenecarboxylic acid, 5-methoxy-

AG002XPA

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CAS Number	29212-22-4
Catalog Number	AG002XPA(AGN-PC-0LO4YK)
Chemical Name	2-Thiophenecarboxylic acid, 5-methoxy-
IUPAC Name	5-methoxythiophene-2-carboxylic acid
InChI	InChI=1S/C6H6O3S/c1-9-5-3-2-4(10-5)6(7)8/h2-3H,1H3,(H,7,8)
InChI Key	ILLPXKQRQUSURG-UHFFFAOYSA-N
MDL Number	MFCD02317367
Molecular Formula	C6H6O3S
Molecular Weight	158.1750
SMILES	O=C(C1=CC=C(OC)S1)O
Synonyms	5-methoxy-2-Thiophenecarboxylic acid, 29212-22-4, 5-methoxythiophene-2-carboxylic acid, 2-Thiophenecarboxylic acid, 5-methoxy-, BAS 10860999, AC1NQ0EL, SCHEMBL1529979, CTK7A7680, KS-00000CUZ, ILLPXKQRQUSURG-UHFFFAOYSA-N, HMS1700N18, 5-Methoxy-2-thiophenecarboxylicAcid, ZINC4434662, (2-cyano-6-fluorophenyl)boronicacid, 6376AJ, MFCD02317367, SBB023958, STK346993, 5-Methoxy-thiophene-2-carboxylic acid, AKOS000313647, MCULE-7104149404, TRA0001487, 5-(methyloxy)-2-thiophenecarboxylic Acid, AJ-51131, AS-31872, DA-07265, SY022425, TC-307917, FT-0704474, ST45134442, Z-4697, MFCD02317367 (97+%), AI-942/25121080, C6H6O3S, CID5188119, 618-91-7, 656235-44-8,

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	1.8

GHS Hazard and Precautionary Statements

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

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