AG00EIFT

588703-29-1 | Methyl benzofuran-6-carboxylate

AG00EIFT

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CAS Number	588703-29-1
Catalog Number	AG00EIFT(AGN-PC-03RY8Z)
Chemical Name	Methyl benzofuran-6-carboxylate
IUPAC Name	methyl 1-benzofuran-6-carboxylate
InChI	InChI=1S/C10H8O3/c1-12-10(11)8-3-2-7-4-5-13-9(7)6-8/h2-6H,1H3
InChI Key	GVDHNZDNWGZFLB-UHFFFAOYSA-N
MDL Number	MFCD11977827
Molecular Formula	C10H8O3
Molecular Weight	176.1687
SMILES	COC(=O)C1=CC2=C(C=CO2)C=C1
Synonyms	Methyl benzofuran-6-carboxylate, 588703-29-1, methyl 1-benzofuran-6-carboxylate, 6-Benzofurancarboxylic acid, methyl ester, AK104799, SCHEMBL3641214, DTXSID20626044, methylbenzo[b]furan-6-carboxylate, GVDHNZDNWGZFLB-UHFFFAOYSA-N, 8743AB, ANW-70983, MFCD11977827, ZINC85224868, AKOS016008142, FCH1175554, SB16255, AS-38699, Benzofuran-6-carboxylic acid methyl ester, SY069050, AJ-127630, AX8239007, TC-159728, CS-0044331, MFCD11977827 (95%), methylbenzofuran-6-carboxylate, C10H8O3, methyl benzofuran-6-carboxylate, 95% - 1G 1g, 1305711-40-3,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.047g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	176.171g/mol
Monoisotopic Mass	176.047g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	39.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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