CAS 589-55-9 | 4-HEPTANOL | CAS Number 589-55-9

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589-55-9 | 4-HEPTANOL

CAS No: 589-55-9 Catalog No: AG003LGQ MDL No:MFCD00021934

Product Description

Catalog Number:

AG003LGQ

Chemical Name:

4-HEPTANOL

CAS Number:

589-55-9

Molecular Formula:

C7H16O

Molecular Weight:

116.2013

MDL Number:

MFCD00021934

IUPAC Name:

heptan-4-ol

InChI:

InChI=1S/C7H16O/c1-3-5-7(8)6-4-2/h7-8H,3-6H2,1-2H3

InChI Key:

YVBCULSIZWMTFY-UHFFFAOYSA-N

SMILES:

CCCC(CCC)O

EC Number:

209-651-7

UNII:

YG7B8091BP

NSC Number:

8695

Properties

Complexity:

37.7

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

116.12g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

116.204g/mol

Monoisotopic Mass:

116.12g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

Title	Journal
Exocrine chemistry of the myrmicine ant Zacryptocerus pusillus (Hymenoptera: Formicidae).	Archives of insect biochemistry and physiology 20060901
Creating space for large secondary alcohols by rational redesign of Candida antarctica lipase B.	Chembiochem : a European journal of chemical biology 20050601
Solvent effect on ion-pair extraction of 2-(2-pyridylazo)-1-naphthol-4-sulfonate anion with solvated hydroxonium ion using alcohols and 1-octanol/octane mixed solvents.	Analytical sciences : the international journal of the Japan Society for Analytical Chemistry 20010201