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Home > Other Heterocycles > 1878972-53-2
1878972-53-2 | 5-methyl-1-oxaspiro[2.5]octane-2-carbonitrile
CAS No: 1878972-53-2 Catalog No: AG01BNYG MDL No:MFCD31432090
Product Description
Catalog Number:
AG01BNYG
Chemical Name:
5-methyl-1-oxaspiro[2.5]octane-2-carbonitrile
CAS Number:
1878972-53-2
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
MDL Number:
MFCD31432090
IUPAC Name:
5-methyl-1-oxaspiro[2.5]octane-2-carbonitrile
InChI:
InChI=1S/C9H13NO/c1-7-3-2-4-9(5-7)8(6-10)11-9/h7-8H,2-5H2,1H3
InChI Key:
DJYVTFKPAXBEGJ-UHFFFAOYSA-N
SMILES:
N#CC1OC21CCCC(C2)C
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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