CAS 13334-49-1 | Acetic acid, 2-(2,4-dimethylphenoxy)- | CAS Number 13334-49-1

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13334-49-1 | Acetic acid, 2-(2,4-dimethylphenoxy)-

CAS No: 13334-49-1 Catalog No: AG0014PD MDL No:MFCD00014355

Product Description

Catalog Number:

AG0014PD

Chemical Name:

Acetic acid, 2-(2,4-dimethylphenoxy)-

CAS Number:

13334-49-1

Molecular Formula:

C10H12O3

Molecular Weight:

180.2005

MDL Number:

MFCD00014355

IUPAC Name:

2-(2,4-dimethylphenoxy)acetic acid

InChI:

InChI=1S/C10H12O3/c1-7-3-4-9(8(2)5-7)13-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)

InChI Key:

XRTZHWXWLUGOAT-UHFFFAOYSA-N

SMILES:

OC(=O)COc1ccc(cc1C)C

EC Number:

236-385-9

NSC Number:

408598

Properties

Complexity:

179

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

180.203g/mol

Monoisotopic Mass:

180.079g/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
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Identification of auxins by a chemical genomics approach.	Journal of experimental botany 20080701