AG00IBRB

67808-66-6 | 3-Thiophenecarboxylic acid, 5-formyl-, methyl ester

AG00IBRB

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CAS Number	67808-66-6
Catalog Number	AG00IBRB(AGN-PC-0JWIVP)
Chemical Name	3-Thiophenecarboxylic acid, 5-formyl-, methyl ester
IUPAC Name	methyl 5-formylthiophene-3-carboxylate
InChI	InChI=1S/C7H6O3S/c1-10-7(9)5-2-6(3-8)11-4-5/h2-4H,1H3
InChI Key	GNXNZRYWBFMVHK-UHFFFAOYSA-N
MDL Number	MFCD01859945
Molecular Formula	C7H6O3S
Molecular Weight	170.1857
SMILES	C(=O)C1=CC(=CS1)C(=O)OC
Synonyms	67808-66-6, methyl 5-formylthiophene-3-carboxylate, Methyl 2-Formyl-4-Thiophenecarboxylate, MFCD01859945, 2-Formylthiophene-4-carboxylic acid methylester, 5-formyl-3-thiophenecarboxylic acid methyl ester, 5-Formyl-3-Thiophene Carboxylic Acid Methylester, 3-Thiophenecarboxylic acid, 5-formyl-, methyl ester, PubChem7741, AC1LGCBP, SCHEMBL2940872, TPC-H014, CTK5C6701, DTXSID20356011, GNXNZRYWBFMVHK-UHFFFAOYSA-N, ZINC334193, ACT02755, CS-D0187, ANW-50416, SBB052265, AKOS003657321, AC-5472, RP23237, KS-0000112U, AJ-19643, AK-40083, AM804220, AN-10955, AS-32946, BR-40083, CJ-02887, methyl 5-methanoylthiophene-3-carboxylate, SC-06229, ZB010730, AB0011910, DB-007655, ST2419599, TR-022750, 4CH-015566, FT-0601265, S-3548, 5-formyl-thiophene-3-carboxylic acid methyl ester, 808M666, A835892, AI-942/25034378, 3-Thiophenecarboxylicacid, 5-formyl-, methyl ester, I01-0810, J-522485, 3-THIOPHENECARBOXYLIC ACID,5-FORMYL-,METHYL ESTER, C7H6O3S, CID818925, ZINC00334193, Methyl 2-formylthiophene-4-carboxylate, 2-Formylthiophene-4-carboxylic acid methyl ester, 7579-20-6,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.004g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	170.182g/mol
Monoisotopic Mass	170.004g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	71.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

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

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