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Home > Other Heterocycles > 1882072-50-5
1882072-50-5 | 4,6,6-trimethyl-1-oxaspiro[2.4]heptane-2-carbonitrile
CAS No: 1882072-50-5 Catalog No: AG01C6US MDL No:MFCD31432447
Product Description
Catalog Number:
AG01C6US
Chemical Name:
4,6,6-trimethyl-1-oxaspiro[2.4]heptane-2-carbonitrile
CAS Number:
1882072-50-5
Molecular Formula:
C10H15NO
Molecular Weight:
165.2322
MDL Number:
MFCD31432447
IUPAC Name:
4,6,6-trimethyl-1-oxaspiro[2.4]heptane-2-carbonitrile
InChI:
InChI=1S/C10H15NO/c1-7-4-9(2,3)6-10(7)8(5-11)12-10/h7-8H,4,6H2,1-3H3
InChI Key:
SLMAFZQVSDUWFH-UHFFFAOYSA-N
SMILES:
N#CC1OC21CC(CC2C)(C)C
Properties
Complexity:
262
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:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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