AG00G9IR

82788-37-2 | Methyl 6-methylbenzofuran-2-carboxylate

AG00G9IR

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CAS Number	82788-37-2
Catalog Number	AG00G9IR(AGN-PC-00NE78)
Chemical Name	Methyl 6-methylbenzofuran-2-carboxylate
IUPAC Name	methyl 6-methyl-1-benzofuran-2-carboxylate
InChI	InChI=1S/C11H10O3/c1-7-3-4-8-6-10(11(12)13-2)14-9(8)5-7/h3-6H,1-2H3
InChI Key	KLKMCBYWDLAIBA-UHFFFAOYSA-N
MDL Number	MFCD11975072
Molecular Formula	C11H10O3
Molecular Weight	190.1953
SMILES	O=C(C1=CC2=CC=C(C)C=C2O1)OC
Synonyms	Methyl 6-methylbenzofuran-2-carboxylate, 82788-37-2, AK-82982, 2-Benzofurancarboxylic acid, 6-methyl-, methyl ester, SCHEMBL10955059, KS-00000QYL, DTXSID30546103, KLKMCBYWDLAIBA-UHFFFAOYSA-N, 2795AC, MFCD11975072, ZINC91301521, AKOS016013722, FCH1152908, MCULE-3558586479, DS-17089, AJ-129704, AX8243765, Methyl 6-methyl-1-benzofuran-2-carboxylate, ST2407300, 4CH-017793, 6-Methylbenzofuran-2-carboxylic acid methyl ester, C11H10O3, Methyl6-methylbenzofuran-2-carboxylate,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.063g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	190.198g/mol
Monoisotopic Mass	190.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	39.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number