AG00EC1Z

61855-04-7 | 5-(Methoxymethyl)thiophene-2-carboxylic acid

AG00EC1Z

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CAS Number	61855-04-7
Catalog Number	AG00EC1Z(AGN-PC-0JTDA7)
Chemical Name	5-(Methoxymethyl)thiophene-2-carboxylic acid
IUPAC Name	5-(methoxymethyl)thiophene-2-carboxylic acid
InChI	InChI=1S/C7H8O3S/c1-10-4-5-2-3-6(11-5)7(8)9/h2-3H,4H2,1H3,(H,8,9)
InChI Key	RYFSRJFRRLRADM-UHFFFAOYSA-N
MDL Number	MFCD02735563
Molecular Formula	C7H8O3S
Molecular Weight	172.2016
SMILES	C1(=CC=C(COC)S1)C(O)=O
Synonyms	61855-04-7, 5-(methoxymethyl)thiophene-2-carboxylic acid, 5-Methoxymethyl-thiophene-2-carboxylic acid, 5-Methoxymethyl-2-thiophenecarboxylic acid, 2-Thiophenecarboxylic acid, 5-(methoxymethyl)-, RYFSRJFRRLRADM-UHFFFAOYSA-N, CHEMBRDG-BB 4004231, 5-(Methoxymethyl)-2-thiophenecarboxylic acid, AC1LBSHB, SCHEMBL836468, CTK2D1224, DTXSID90343211, ZINC307337, ALBB-026347, 6783AE, MFCD02735563, AKOS000300538, MCULE-4686664937, AJ-19126, BAS 02943121, AB0218425, AB1008789, TR-055449, 5-Methoxymethyl-thiophene-2-carboxylic acid, BB 0237680, W-9733, null, C7H8O3S, CHEMBRDG-BB4004231, 1-(3-methyl-2-thienyl)methanamine, CID588215,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.019g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	172.198g/mol
Monoisotopic Mass	172.019g/mol
Rotatable Bond Count	3
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	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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