AG003MVW

18441-43-5 | 5-Methylbenzofuran

AG003MVW

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CAS Number	18441-43-5
Catalog Number	AG003MVW(AGN-PC-0CW4QY)
Chemical Name	5-Methylbenzofuran
EC Number	242-318-4
IUPAC Name	5-methyl-1-benzofuran
InChI	InChI=1S/C9H8O/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6H,1H3
InChI Key	KCZQNAOFWQGLCN-UHFFFAOYSA-N
MDL Number	MFCD00138124
Molecular Formula	C9H8O
Molecular Weight	132.1592
SMILES	CC1=CC2=C(OC=C2)C=C1
UNII	GLM9ZJ1WW7
Synonyms	5-Methylbenzofuran, 18441-43-5, 5-methyl-1-benzofuran, Benzofuran, 5-methyl-, 5-methyl-benzofuran, UNII-GLM9ZJ1WW7, GLM9ZJ1WW7, EINECS 242-318-4, 5-methylbenzo[b]furan, 5-methyl-benzo[b]furan, AC1L1OYQ, AC1Q2QPY, SCHEMBL172397, CTK0I0054, KS-00000DDZ, DTXSID90171571, KCZQNAOFWQGLCN-UHFFFAOYSA-N, ZINC2013351, 6383AJ, MFCD00138124, AKOS006275454, AS06433, CM10745, MB00739, MCULE-2475611374, NE25643, TRA0077912, AJ-32549, CS-11213, SY009697, DB-082599, TX-017230, FT-0710831, MFCD00138124 (97%), Z1741794508, InChI=1/C9H8O/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6H,1H, C9H8O, C9-H8-O, CID33103,

Complexity	122
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	132.058g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	132.162g/mol
Monoisotopic Mass	132.058g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	13.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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

Lot Number