CAS 26946-56-5 | Cyclopropaneacetaldehyde, 2,2-dimethyl-3-(2-oxopropyl)- | CAS Number 26946-56-5

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26946-56-5 | Cyclopropaneacetaldehyde, 2,2-dimethyl-3-(2-oxopropyl)-

CAS No: 26946-56-5 Catalog No: AG007MBD MDL No:

Product Description

Catalog Number:

AG007MBD

Chemical Name:

Cyclopropaneacetaldehyde, 2,2-dimethyl-3-(2-oxopropyl)-

CAS Number:

26946-56-5

Molecular Formula:

C10H16O2

Molecular Weight:

168.2328

IUPAC Name:

2-[2,2-dimethyl-3-(2-oxopropyl)cyclopropyl]acetaldehyde

InChI:

InChI=1S/C10H16O2/c1-7(12)6-9-8(4-5-11)10(9,2)3/h5,8-9H,4,6H2,1-3H3

InChI Key:

DINMJPWMECTCJA-UHFFFAOYSA-N

SMILES:

O=CCC1C(C1(C)C)CC(=O)C

Properties

Complexity:

206

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

168.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

168.236g/mol

Monoisotopic Mass:

168.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

34.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8

Literature

Title	Journal
Enantiomeric separation of novel anticancer agent 5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-cyclopent-2-en-1-one.	Journal of chromatography. A 20070105
Study of the carbonyl products of terpene/OH radical reactions: detection of the 2,4-DNPH derivatives by HPLC-MS.	Analytical and bioanalytical chemistry 20040601