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31053-68-6

31053-68-6 | 2,4-Dioxaspiro[5.5]undecane, 3-(1-naphthalenyl)-

CAS No: 31053-68-6 Catalog No: AG00320L MDL No:

Product Description

Catalog Number:
AG00320L
Chemical Name:
2,4-Dioxaspiro[5.5]undecane, 3-(1-naphthalenyl)-
CAS Number:
31053-68-6
Molecular Formula:
C19H22O2
Molecular Weight:
282.3768
IUPAC Name:
3-naphthalen-1-yl-2,4-dioxaspiro[5.5]undecane
InChI:
InChI=1S/C19H22O2/c1-4-11-19(12-5-1)13-20-18(21-14-19)17-10-6-8-15-7-2-3-9-16(15)17/h2-3,6-10,18H,1,4-5,11-14H2
InChI Key:
TUCMPEVRIJJRDB-UHFFFAOYSA-N
SMILES:
C1CCC2(CC1)COC(OC2)c1cccc2c1cccc2
NSC Number:
135952

Properties

Complexity:
338  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.162g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.383g/mol
Monoisotopic Mass:
282.162g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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