CAS 140-86-3 | 2-Butanone, 1,4-dihydroxy- | CAS Number 140-86-3

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Other Building Blocks > 140-86-3

140-86-3 | 2-Butanone, 1,4-dihydroxy-

CAS No: 140-86-3 Catalog No: AG001BX5 MDL No:

Product Description

Catalog Number:

AG001BX5

Chemical Name:

2-Butanone, 1,4-dihydroxy-

CAS Number:

140-86-3

Molecular Formula:

C4H8O3

Molecular Weight:

104.1045

IUPAC Name:

1,4-dihydroxybutan-2-one

InChI:

InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2

InChI Key:

XBJODPUPYBBDEM-UHFFFAOYSA-N

SMILES:

OCCC(=O)CO

Properties

Complexity:

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

104.047g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

104.105g/mol

Monoisotopic Mass:

104.047g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.5

Literature

Title	Journal
Investigating the role of the hydroxyl groups of substrate erythrose 4-phosphate in the reaction catalysed by the first enzyme of the shikimate pathway.	Bioorganic & medicinal chemistry letters 20111115
Production of optically active 1,2,4-butanetriol from corresponding racemate by Microbial stereoinversion.	Journal of bioscience and bioengineering 20070501