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Home > Other Heterocycles > 1849197-53-0
1849197-53-0 | 4,4-dimethyl-1-oxaspiro[2.4]heptane-2-carbonitrile
CAS No: 1849197-53-0 Catalog No: AG01BNYY MDL No:MFCD31432109
Product Description
Catalog Number:
AG01BNYY
Chemical Name:
4,4-dimethyl-1-oxaspiro[2.4]heptane-2-carbonitrile
CAS Number:
1849197-53-0
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
MDL Number:
MFCD31432109
IUPAC Name:
4,4-dimethyl-1-oxaspiro[2.4]heptane-2-carbonitrile
InChI:
InChI=1S/C9H13NO/c1-8(2)4-3-5-9(8)7(6-10)11-9/h7H,3-5H2,1-2H3
InChI Key:
PFKKLNFEODBPMS-UHFFFAOYSA-N
SMILES:
N#CC1OC21CCCC2(C)C
Properties
Complexity:
237
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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