CAS 1142-39-8 | Benzoic acid, 4-(hexyloxy)- | CAS Number 1142-39-8

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1142-39-8 | Benzoic acid, 4-(hexyloxy)-

CAS No: 1142-39-8 Catalog No: AG000ASL MDL No:MFCD00013991

Product Description

Catalog Number:

AG000ASL

Chemical Name:

Benzoic acid, 4-(hexyloxy)-

CAS Number:

1142-39-8

Molecular Formula:

C13H18O3

Molecular Weight:

222.2802

MDL Number:

MFCD00013991

IUPAC Name:

4-hexoxybenzoic acid

InChI:

InChI=1S/C13H18O3/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h6-9H,2-5,10H2,1H3,(H,14,15)

InChI Key:

HBQUXMZZODHFMJ-UHFFFAOYSA-N

SMILES:

CCCCCCOc1ccc(cc1)C(=O)O

EC Number:

214-534-9

NSC Number:

28663

Properties

Complexity:

195

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.126g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.284g/mol

Monoisotopic Mass:

222.126g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9

Literature

Title	Journal
Determination of 13C chemical shift anisotropy tensors and molecular order of 4-hexyloxybenzoic acid.	The journal of physical chemistry. A 20120719
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
Poly(anhydride-ester) fibers: role of copolymer composition on hydrolytic degradation and mechanical properties.	Journal of biomedical materials research. Part A 20040801