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Home > Other Heterocycles > 1872422-72-4
1872422-72-4 | 4,7-dimethyl-1-oxaspiro[2.5]octane-2-carbonitrile
CAS No: 1872422-72-4 Catalog No: AG01C6W3 MDL No:MFCD31432468
Product Description
Catalog Number:
AG01C6W3
Chemical Name:
4,7-dimethyl-1-oxaspiro[2.5]octane-2-carbonitrile
CAS Number:
1872422-72-4
Molecular Formula:
C10H15NO
Molecular Weight:
165.2322
MDL Number:
MFCD31432468
IUPAC Name:
4,7-dimethyl-1-oxaspiro[2.5]octane-2-carbonitrile
InChI:
InChI=1S/C10H15NO/c1-7-3-4-8(2)10(5-7)9(6-11)12-10/h7-9H,3-5H2,1-2H3
InChI Key:
WWXLCVZGXOQYEM-UHFFFAOYSA-N
SMILES:
N#CC1OC21CC(C)CCC2C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.236g/mol
Monoisotopic Mass:
165.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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