AG00DC5X

50340-79-9 | 5-(Methoxycarbonyl)thiophene-2-carboxylic acid

AG00DC5X

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CAS Number	50340-79-9
Catalog Number	AG00DC5X(AGN-PC-0JWIKQ)
Chemical Name	5-(Methoxycarbonyl)thiophene-2-carboxylic acid
IUPAC Name	5-methoxycarbonylthiophene-2-carboxylic acid
InChI	InChI=1S/C7H6O4S/c1-11-7(10)5-3-2-4(12-5)6(8)9/h2-3H,1H3,(H,8,9)
InChI Key	HYHZGBOWRWIEGW-UHFFFAOYSA-N
MDL Number	MFCD01203161
Molecular Formula	C7H6O4S
Molecular Weight	186.1851
SMILES	O=C(C1=CC=C(C(OC)=O)S1)O
Synonyms	5-(methoxycarbonyl)thiophene-2-carboxylic acid, 50340-79-9, Thiophene-2,5-dicarboxylic acid monomethyl ester, 5-methoxycarbonylthiophene-2-carboxylic acid, 5-(methoxycarbonyl)-2-thiophenecarboxylic acid, 5-methoxycarbonyl-2-thiophenecarboxylic acid, thiophene-2,5-dicarboxylic acidmonomethyl ester, 38321-95-8, AC1LGB4T, AC1Q43I1, SCHEMBL1303016, CTK4J2462, KS-00000EZK, DTXSID20355948, HYHZGBOWRWIEGW-UHFFFAOYSA-N, HMS1671L22, ZINC333196, ANW-74535, MFCD01203161, SBB090394, STK379736, AKOS000641385, CS-W005917, MCULE-5363349564, RP24617, AC-28060, AJ-19591, AK-48288, AN-41535, BAS 01847576, BS-13627, ST065451, SY021571, AB0134470, DB-002587, TR-017994, FT-0083136, FT-0645322, FT-0753348, ST24044255, Z3443, 2,5-Thiophenedicarboxylicacid, 2-methyl ester, EN300-27814, MFCD01203161 (95%), C-1300, 340T799, A828076, AG-205/37066188, SR-01000519266, I04-4976, J-524959, SR-01000519266-1, C7H6O4S, 5- thiophene-2-carboxylicacid, CID818352, 5-(Methoxycarbonyl)thiophene-2-carboxylicacid, Thiophene-2,5-dicarboxylic acid monomethyl ester, 97% - 1G 1g, Barium bis[6-chloro-4-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-1-naphthyl]azo]toluene-3-sulphonate],

Complexity	204
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.999g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	186.181g/mol
Monoisotopic Mass	185.999g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	91.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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