CAS 3710-31-4 | Heptane-1,2-diol | CAS Number 3710-31-4

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3710-31-4 | Heptane-1,2-diol

CAS No: 3710-31-4 Catalog No: AG003DFA MDL No:MFCD01861287

Product Description

Catalog Number:

AG003DFA

Chemical Name:

Heptane-1,2-diol

CAS Number:

3710-31-4

Molecular Formula:

C7H16O2

Molecular Weight:

132.2007

MDL Number:

MFCD01861287

IUPAC Name:

heptane-1,2-diol

InChI:

InChI=1S/C7H16O2/c1-2-3-4-5-7(9)6-8/h7-9H,2-6H2,1H3

InChI Key:

GCXZDAKFJKCPGK-UHFFFAOYSA-N

SMILES:

CCCCCC(CO)O

Properties

Complexity:

54.9

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

132.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

132.203g/mol

Monoisotopic Mass:

132.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
Purification, characterization, and gene cloning of glycerol dehydrogenase from Hansenula ofunaensis, and its expression for production of optically active diol.	Journal of bioscience and bioengineering 20061201
Heat capacity studies of formation of micelle-like structure in aqueous solutions of some alkane polyols.	Journal of colloid and interface science 20030115