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Home > Other Heterocycles > 175881-33-1
175881-33-1 | 1-OXASPIRO[2.3]HEXANE-5-CARBONITRILE
CAS No: 175881-33-1 Catalog No: AG01DYVG MDL No:MFCD21364613
Product Description
Catalog Number:
AG01DYVG
Chemical Name:
1-OXASPIRO[2.3]HEXANE-5-CARBONITRILE
CAS Number:
175881-33-1
Molecular Formula:
C6H7NO
Molecular Weight:
109.1259
MDL Number:
MFCD21364613
IUPAC Name:
1-oxaspiro[2.3]hexane-5-carbonitrile
InChI:
InChI=1S/C6H7NO/c7-3-5-1-6(2-5)4-8-6/h5H,1-2,4H2
InChI Key:
RJMBUEBVWQOCAV-UHFFFAOYSA-N
SMILES:
N#CC1CC2(C1)OC2
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.053g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
109.128g/mol
Monoisotopic Mass:
109.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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