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Home > Other Heterocycles > 1803605-23-3
1803605-23-3 | 2-{1,4-dioxaspiro[4.5]decan-8-yl}-2-hydroxyacetonitrile
CAS No: 1803605-23-3 Catalog No: AG01BCSK MDL No:MFCD28012299
Product Description
Catalog Number:
AG01BCSK
Chemical Name:
2-{1,4-dioxaspiro[4.5]decan-8-yl}-2-hydroxyacetonitrile
CAS Number:
1803605-23-3
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
MDL Number:
MFCD28012299
IUPAC Name:
2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxyacetonitrile
InChI:
InChI=1S/C10H15NO3/c11-7-9(12)8-1-3-10(4-2-8)13-5-6-14-10/h8-9,12H,1-6H2
InChI Key:
BTYPCXGSSQRXME-UHFFFAOYSA-N
SMILES:
OC(C1CCC2(CC1)OCCO2)C#N
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.234g/mol
Monoisotopic Mass:
197.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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