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Home > Other Heterocycles > 88152-71-0
88152-71-0 | 1,4,8,11-Tetraoxadispiro[4.1.4.3]tetradecane-13-acetonitrile
CAS No: 88152-71-0 Catalog No: AG004D2Q MDL No:
Product Description
Catalog Number:
AG004D2Q
Chemical Name:
1,4,8,11-Tetraoxadispiro[4.1.4.3]tetradecane-13-acetonitrile
CAS Number:
88152-71-0
Molecular Formula:
C12H17NO4
Molecular Weight:
239.2677
IUPAC Name:
2-(1,4,8,11-tetraoxadispiro[4.1.47.35]tetradecan-13-yl)acetonitrile
InChI:
InChI=1S/C12H17NO4/c13-2-1-10-7-11(14-3-4-15-11)9-12(8-10)16-5-6-17-12/h10H,1,3-9H2
InChI Key:
QEMBPZZCTFDMSM-UHFFFAOYSA-N
SMILES:
N#CCC1CC2(OCCO2)CC2(C1)OCCO2
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.271g/mol
Monoisotopic Mass:
239.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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