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

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

CAS No: 5396-38-3 Catalog No: AG003M1K MDL No:MFCD00026309

Product Description

Catalog Number:

AG003M1K

Chemical Name:

1-(tert-Butyl);-4-methoxybenzene

CAS Number:

5396-38-3

Molecular Formula:

C11H16O

Molecular Weight:

164.2441

MDL Number:

MFCD00026309

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

SMILES:

COc1ccc(cc1)C(C)(C)C

EC Number:

226-412-2

UNII:

TS0X8A7M5Y

NSC Number:

1266

Properties

Complexity:

126

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

164.12g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

164.248g/mol

Monoisotopic Mass:

164.12g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

9.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Mechanism of photoacid generation for an arylcycloalkylsulfonium salt by ring opening and aryl cleavage.	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20040101
Tetrakis(2-hydroxyphenyl)ethene and derivatives. A structurally preorganized tetradentate ligand system for polymetallic coordination chemistry and catalysis.	Journal of the American Chemical Society 20020828