CAS 175-93-9 | Spiro[4.4]nonane | CAS Number 175-93-9

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175-93-9 | Spiro[4.4]nonane

CAS No: 175-93-9 Catalog No: AG00203O MDL No:

Product Description

Catalog Number:

AG00203O

Chemical Name:

Spiro[4.4]nonane

CAS Number:

175-93-9

Molecular Formula:

C9H16

Molecular Weight:

124.2233

IUPAC Name:

spiro[4.4]nonane

InChI:

InChI=1S/C9H16/c1-2-6-9(5-1)7-3-4-8-9/h1-8H2

InChI Key:

PHICBFWUYUCFKS-UHFFFAOYSA-N

SMILES:

C1CCC2(C1)CCCC2

Properties

Complexity:

75.1

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

124.125g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

124.227g/mol

Monoisotopic Mass:

124.125g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2

Literature

Title	Journal
Identification of fredericamycin E from Streptomyces griseus: Insights into fredericamycin A biosynthesis highlighting carbaspirocycle formation.	Journal of natural products 20080301
Synthesis of dimethyl gloiosiphone a by way of palladium-catalyzed domino cyclization.	The Journal of organic chemistry 20070511
Non-empirical calculations of NMR indirect carbon-carbon coupling constants. Part 7--spiroalkanes.	Magnetic resonance in chemistry : MRC 20040601