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Home > Other Heterocycles > 872988-59-5
872988-59-5 | spiro[2.3]hexane-5-carbonitrile
CAS No: 872988-59-5 Catalog No: AG01BVQK MDL No:MFCD18791194
Product Description
Catalog Number:
AG01BVQK
Chemical Name:
spiro[2.3]hexane-5-carbonitrile
CAS Number:
872988-59-5
Molecular Formula:
C7H9N
Molecular Weight:
107.1531
MDL Number:
MFCD18791194
IUPAC Name:
spiro[2.3]hexane-5-carbonitrile
InChI:
InChI=1S/C7H9N/c8-5-6-3-7(4-6)1-2-7/h6H,1-4H2
InChI Key:
ALEHCHMDJFQQAJ-UHFFFAOYSA-N
SMILES:
N#CC1CC2(C1)CC2
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
107.073g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
107.156g/mol
Monoisotopic Mass:
107.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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