AG003M1K

5396-38-3 | 1-(tert-Butyl)-4-methoxybenzene

AG003M1K

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CAS Number	5396-38-3
Catalog Number	AG003M1K(AGN-PC-0CT5FT)
Chemical Name	1-(tert-Butyl)-4-methoxybenzene
EC Number	226-412-2
IUPAC Name	1-tert-butyl-4-methoxybenzene
InChI	InChI=1S/C11H16O/c1-11(2,3)9-5-7-10(12-4)8-6-9/h5-8H,1-4H3
InChI Key	MCUPBIBNSTXCPQ-UHFFFAOYSA-N
MDL Number	MFCD00026309
Molecular Formula	C11H16O
Molecular Weight	164.2441
NSC Number	1266
SMILES	COC1=CC=C(C(C)(C)C)C=C1
UNII	TS0X8A7M5Y
Synonyms	4-tert-Butylanisole, 5396-38-3, 1-(tert-butyl)-4-methoxybenzene, p-tert-Butylanisole, Anisole, p-tert-butyl-, Benzene, 1-(1,1-dimethylethyl)-4-methoxy-, 1-tert-Butyl-4-methoxybenzene, p-Methoxy-tert-butylbenzene, 4-tert-Butylphenyl methyl ether, UNII-TS0X8A7M5Y, 4-Methoxy-tert-butylbenzene, TS0X8A7M5Y, 1-tert-butyl-4-methoxy-benzene, MCUPBIBNSTXCPQ-UHFFFAOYSA-N, MFCD00026309, 4-t-butylanisole, 4-tertbutylanisole, NSC1266, p-tert-Butylanisol, NSC 1266, EINECS 226-412-2, P-T-BUTYLANISOLE, AI3-03091, AC1L3STR, ACMC-1AJW4, 4-TERT-BUTYLANISOL, AC1Q49ZO, AC1Q56RI, 4-tert-Butylanisole, 97%, SCHEMBL78643, 4-(1,1-dimethylethyl)anisole, Benzene, 1-methoxy-4-t-butyl, DTXSID3063833, Anisole, p-tert-butyl- (8CI), CTK4J9112, 4-(tert-butyl)-1-methoxybenzene, 1-tert-Butyl-4-methoxybenzene #, AKOS 91798, LABOTEST-BB LTBB003007, KS-00000EY8, NSC-1266, STR06745, ZINC1591825, 7722AB, ANW-31896, Benzene,1-dimethylethyl)-4-methoxy-, SBB061019, AKOS000281039, 2-(4'-Methoxyphenyl)-2-methylpropane, AS01006, MCULE-3593517942, P-TERT-BUTYLPHENYL METHYL ETHER, AJ-27702, AK-81685, AN-21097, SC-94077, Benzene,1-(1,1-dimethylethyl)-4-methoxy-, DB-013359, TC-120641, B0961, FT-0619490, ST24032187, ST50405671, F0001-1406, I14-105359, InChI=1/C11H16O/c1-11(2,3)9-5-7-10(12-4)8-6-9/h5-8H,1-4H, C11H16O, CID94750, AR-1H7404, C11-H16-O, 4-tert-Butylanisole, 98% - 25G 25g, 55282-10-5, 60176-19-4,

Complexity	126
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.12g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	164.248g/mol
Monoisotopic Mass	164.12g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number