AG001FED

14804-32-1 | Benzene, 1-ethyl-2-methoxy-

AG001FED

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CAS Number	14804-32-1
Catalog Number	AG001FED(AGN-PC-0CLATE)
Chemical Name	Benzene, 1-ethyl-2-methoxy-
IUPAC Name	1-ethyl-2-methoxybenzene
InChI	InChI=1S/C9H12O/c1-3-8-6-4-5-7-9(8)10-2/h4-7H,3H2,1-2H3
InChI Key	NIEHEMAZEULEKB-UHFFFAOYSA-N
MDL Number	MFCD00142909
Molecular Formula	C9H12O
Molecular Weight	136.1910
SMILES	COC1=CC=CC=C1CC
Synonyms	2-Ethylanisole, 14804-32-1, 1-Ethyl-2-methoxybenzene, Benzene, 1-ethyl-2-methoxy-, 2-Ethylmethoxybenzene, NIEHEMAZEULEKB-UHFFFAOYSA-N, Benzene,1-ethyl-2-methoxy-, 2-ethyl anisole, O-ETHYLANISOLE, ethyl-2-methoxybenzene, ACMC-1CEJD, 1-Methoxy-2-ethylbenzene, 1-ethyl-2-methoxy-benzene, 2-Ethylphenol, methyl ether, SCHEMBL17939, AC1L37X4, SCHEMBL5743040, SCHEMBL12015267, CTK4C5679, DTXSID10163872, ZINC2512354, ANW-21108, MFCD00142909, AKOS008948242, AS02573, KS-000014K6, AJ-36644, SC-88989, TC-109853, E0509, FT-0612261, A808726, I14-62202, InChI=1/C9H12O/c1-3-8-6-4-5-7-9(8)10-2/h4-7H,3H2,1-2H, C9-H12-O, CID84654, ZINC02512354,

Complexity	90.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	136.089g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	136.194g/mol
Monoisotopic Mass	136.089g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H227
Packing Group	Ⅲ
Precautionary statements	P210-P280-P370+P378-P403+P235-P501
UN Code	UN 1993

Certificate of Analysis

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