Home Nitriles 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetonitrile

2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetonitrile

CAS No.:
124499-35-0
Catalog Number:
AG009JXD
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
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Product Description
Catalog Number:
AG009JXD
Chemical Name:
2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetonitrile
CAS Number:
124499-35-0
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD11847777
IUPAC Name:
2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetonitrile
InChI:
InChI=1S/C10H13NO2/c11-6-3-9-1-4-10(5-2-9)12-7-8-13-10/h3H,1-2,4-5,7-8H2
InChI Key:
IGDLFUWXBQNWJP-UHFFFAOYSA-N
SMILES:
N#CC=C1CCC2(CC1)OCCO2
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties