CAS 14377-19-6 | Benzeneacetic acid, 4-butyl- | CAS Number 14377-19-6

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14377-19-6 | Benzeneacetic acid, 4-butyl-

CAS No: 14377-19-6 Catalog No: AG001ICE MDL No:MFCD00982001

Product Description

Catalog Number:

AG001ICE

Chemical Name:

Benzeneacetic acid, 4-butyl-

CAS Number:

14377-19-6

Molecular Formula:

C12H16O2

Molecular Weight:

192.2542

MDL Number:

MFCD00982001

IUPAC Name:

2-(4-butylphenyl)acetic acid

InChI:

InChI=1S/C12H16O2/c1-2-3-4-10-5-7-11(8-6-10)9-12(13)14/h5-8H,2-4,9H2,1H3,(H,13,14)

InChI Key:

ROVMLIKBAVUPPB-UHFFFAOYSA-N

SMILES:

CCCCc1ccc(cc1)CC(=O)O

Properties

Complexity:

169

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

192.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

192.258g/mol

Monoisotopic Mass:

192.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501