CAS 174-79-8 | 2,6-Dioxaspiro[3.3]heptane | CAS Number 174-79-8

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174-79-8 | 2,6-Dioxaspiro[3.3]heptane

CAS No: 174-79-8 Catalog No: AG001ZDC MDL No:MFCD01730191

Product Description

Catalog Number:

AG001ZDC

Chemical Name:

2,6-Dioxaspiro[3.3]heptane

CAS Number:

174-79-8

Molecular Formula:

C5H8O2

Molecular Weight:

100.1158

MDL Number:

MFCD01730191

IUPAC Name:

2,6-dioxaspiro[3.3]heptane

InChI:

InChI=1S/C5H8O2/c1-5(2-6-1)3-7-4-5/h1-4H2

InChI Key:

XQLZHIBLSSHZAL-UHFFFAOYSA-N

SMILES:

O1CC2(C1)COC2

UNII:

4046SYP4FC

Properties

Complexity:

66.6

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

100.052g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

100.117g/mol

Monoisotopic Mass:

100.052g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

18.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.4

Literature

Title	Journal
Chemical degradation of 2,2-bis(bromomethyl)propan-1,3-diol (DBNPG) in alkaline conditions.	Chemosphere 20100401
Chemical transformation of 3-bromo-2,2-bis(bromomethyl)-propanol under basic conditions.	Environmental science & technology 20050115