CAS 2955-46-6 | Benzeneacetic acid, 4-methoxy-α,α-dimethyl- | CAS Number 2955-46-6

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2955-46-6 | Benzeneacetic acid, 4-methoxy-α,α-dimethyl-

CAS No: 2955-46-6 Catalog No: AG002YQ4 MDL No:MFCD11036946

Product Description

Catalog Number:

AG002YQ4

Chemical Name:

Benzeneacetic acid, 4-methoxy-α,α-dimethyl-

CAS Number:

2955-46-6

Molecular Formula:

C11H14O3

Molecular Weight:

194.2271

MDL Number:

MFCD11036946

IUPAC Name:

2-(4-methoxyphenyl)-2-methylpropanoic acid

InChI:

InChI=1S/C11H14O3/c1-11(2,10(12)13)8-4-6-9(14-3)7-5-8/h4-7H,1-3H3,(H,12,13)

InChI Key:

IQJSVQFIOUFWMU-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)C(C(=O)O)(C)C

NSC Number:

85715

Properties

Complexity:

203

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

194.094g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

194.23g/mol

Monoisotopic Mass:

194.094g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
One-electron oxidation of 2-(4-methoxyphenyl)-2-methylpropanoic and 1-(4-methoxyphenyl)cyclopropanecarboxylic acids in aqueous solution. the involvement of radical cations and the influence of structural effects and pH on the side-chain fragmentation reactivity.	The Journal of organic chemistry 20080118