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Home > Other Heterocycles > 36929-40-5
36929-40-5 | 4-methyl-1-oxaspiro[2.5]octane-2-carbonitrile
CAS No: 36929-40-5 Catalog No: AG01BNYL MDL No:MFCD31432092
Product Description
Catalog Number:
AG01BNYL
Chemical Name:
4-methyl-1-oxaspiro[2.5]octane-2-carbonitrile
CAS Number:
36929-40-5
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
MDL Number:
MFCD31432092
IUPAC Name:
4-methyl-1-oxaspiro[2.5]octane-2-carbonitrile
InChI:
InChI=1S/C9H13NO/c1-7-4-2-3-5-9(7)8(6-10)11-9/h7-8H,2-5H2,1H3
InChI Key:
BHXQVHJVMDGARN-UHFFFAOYSA-N
SMILES:
N#CC1OC21CCCCC2C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.1g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.209g/mol
Monoisotopic Mass:
151.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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