CAS 4415-82-1 | Cyclobutylmethanol | CAS Number 4415-82-1

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4415-82-1 | Cyclobutylmethanol

CAS No: 4415-82-1 Catalog No: AG003P3R MDL No:MFCD00001330

Product Description

Catalog Number:

AG003P3R

Chemical Name:

Cyclobutylmethanol

CAS Number:

4415-82-1

Molecular Formula:

C5H10O

Molecular Weight:

86.1323

MDL Number:

MFCD00001330

IUPAC Name:

cyclobutylmethanol

InChI:

InChI=1S/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2

InChI Key:

WPOPOPFNZYPKAV-UHFFFAOYSA-N

SMILES:

OCC1CCC1

EC Number:

224-575-4

Properties

Complexity:

39.2

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

86.073g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

86.134g/mol

Monoisotopic Mass:

86.073g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8

Literature

Title	Journal
Ring opening versus ring expansion in rearrangement of bicyclic cyclobutylcarbinyl radicals.	The Journal of organic chemistry 20080201
Entamoeba histolytica alcohol dehydrogenase 2 (EhADH2) as a target for anti-amoebic agents.	The Journal of antimicrobial chemotherapy 20040701