CAS 23433-05-8 | 1,3-Octanediol | CAS Number 23433-05-8

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23433-05-8 | 1,3-Octanediol

CAS No: 23433-05-8 Catalog No: AG002N7W MDL No:MFCD01711163

Product Description

Catalog Number:

AG002N7W

Chemical Name:

1,3-Octanediol

CAS Number:

23433-05-8

Molecular Formula:

C8H18O2

Molecular Weight:

146.2273

MDL Number:

MFCD01711163

IUPAC Name:

octane-1,3-diol

InChI:

InChI=1S/C8H18O2/c1-2-3-4-5-8(10)6-7-9/h8-10H,2-7H2,1H3

InChI Key:

DCTMXCOHGKSXIZ-UHFFFAOYSA-N

SMILES:

CCCCCC(CCO)O

EC Number:

607-232-7

Properties

Complexity:

64.3

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

146.131g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

146.23g/mol

Monoisotopic Mass:

146.131g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Matrix-assisted laser desorption/ionization mass spectrometric analysis of aliphatic biodegradable photoluminescent polymers using new ionic liquid matrices.	Rapid communications in mass spectrometry : RCM 20110515
More than a protective group: synthesis and applications of a new chiral silane.	Organic letters 20070913