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Home > Other Heterocycles > 1880904-12-0
1880904-12-0 | 4,5-dimethyl-1-oxaspiro[2.5]octane-2-carbonitrile
CAS No: 1880904-12-0 Catalog No: AG01C6VT MDL No:MFCD31432464
Product Description
Catalog Number:
AG01C6VT
Chemical Name:
4,5-dimethyl-1-oxaspiro[2.5]octane-2-carbonitrile
CAS Number:
1880904-12-0
Molecular Formula:
C10H15NO
Molecular Weight:
165.2322
MDL Number:
MFCD31432464
IUPAC Name:
4,5-dimethyl-1-oxaspiro[2.5]octane-2-carbonitrile
InChI:
InChI=1S/C10H15NO/c1-7-4-3-5-10(8(7)2)9(6-11)12-10/h7-9H,3-5H2,1-2H3
InChI Key:
PBZHDMPDHXQDQY-UHFFFAOYSA-N
SMILES:
N#CC1OC21CCCC(C2C)C
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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