AG003NGJ

669-04-5 | 7-Methylbenzofuran-3(2H)-one

AG003NGJ

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CAS Number	669-04-5
Catalog Number	AG003NGJ(AGN-PC-0JKAOX)
Chemical Name	7-Methylbenzofuran-3(2H)-one
IUPAC Name	7-methyl-1-benzofuran-3-one
InChI	InChI=1S/C9H8O2/c1-6-3-2-4-7-8(10)5-11-9(6)7/h2-4H,5H2,1H3
InChI Key	FRLLIMIJMRLFCC-UHFFFAOYSA-N
MDL Number	MFCD11137731
Molecular Formula	C9H8O2
Molecular Weight	148.1586
SMILES	O=C1COC2=C(C)C=CC=C12
Synonyms	7-Methylbenzofuran-3(2H)-one, 669-04-5, 7-METHYL-3(2H)-BENZOFURANONE, 7-methyl-1-benzofuran-3-one, 3(2H)-Benzofuranone, 7-methyl-, 7-methyl-2,3-dihydro-1-benzofuran-3-one, FRLLIMIJMRLFCC-UHFFFAOYSA-N, AC1Q2GQL, 7-Methylbenzofuran-3-one, AC1L200F, AMOT0802, SCHEMBL12178135, CTK5C5369, 3(2H)-Benzofuranone,7-methyl-, DTXSID70217042, KS-00000DE8, ZINC2031508, 6493AJ, MFCD11137731, AKOS000223984, 7-Methyl-1-benzofuran-3(2H)-one #, CM-2340, MCULE-4809214134, TRA0051181, AJ-32928, AS-32405, CJ-07486, SY023821, EN300-67623, Z-3472, MFCD11137731 (97+%), 7-Methyl-3 -benzofuranone, C9H8O2, CID12632, ACN-041113,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	148.052g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	148.161g/mol
Monoisotopic Mass	148.052g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number