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28416-65-1

28416-65-1 | 6-(PROPAN-2-YL)-1-OXASPIRO[2.5]OCTANE

CAS No: 28416-65-1 Catalog No: AG01BNKK MDL No:MFCD17218292

Product Description

Catalog Number:
AG01BNKK
Chemical Name:
6-(PROPAN-2-YL)-1-OXASPIRO[2.5]OCTANE
CAS Number:
28416-65-1
MDL Number:
MFCD17218292
IUPAC Name:
6-propan-2-yl-1-oxaspiro[2.5]octane
InChI:
InChI=1S/C10H18O/c1-8(2)9-3-5-10(6-4-9)7-11-10/h8-9H,3-7H2,1-2H3
InChI Key:
UCARVWSQGFDWGS-UHFFFAOYSA-N

Properties

Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.136g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.253g/mol
Monoisotopic Mass:
154.136g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Literature

Title Journal
Conjugated dienes as prohaptens in contact allergy: in vivo and in vitro studies of structure-activity relationships, sensitizing capacity, and metabolic activation. Chemical research in toxicology 20060601

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