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21133-22-2

21133-22-2 | 3-Pentanone, 1,5-bis(tetrahydro-2-furanyl)-

CAS No: 21133-22-2 Catalog No: AG002LAM MDL No:

Product Description

Catalog Number:
AG002LAM
Chemical Name:
3-Pentanone, 1,5-bis(tetrahydro-2-furanyl)-
CAS Number:
21133-22-2
Molecular Formula:
C13H22O3
Molecular Weight:
226.3120
IUPAC Name:
1,5-bis(oxolan-2-yl)pentan-3-one
InChI:
InChI=1S/C13H22O3/c14-11(5-7-12-3-1-9-15-12)6-8-13-4-2-10-16-13/h12-13H,1-10H2
InChI Key:
HJVYYGDXIUORHP-UHFFFAOYSA-N
SMILES:
O=C(CCC1CCCO1)CCC1CCCO1

Properties

Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.157g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.316g/mol
Monoisotopic Mass:
226.157g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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