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Home > Other Heterocycles > 1849236-62-9
1849236-62-9 | 5-(propan-2-yl)-1-oxaspiro[2.3]hexane-2-carbonitrile
CAS No: 1849236-62-9 Catalog No: AG01BNZ7 MDL No:MFCD31432112
Product Description
Catalog Number:
AG01BNZ7
Chemical Name:
5-(propan-2-yl)-1-oxaspiro[2.3]hexane-2-carbonitrile
CAS Number:
1849236-62-9
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
MDL Number:
MFCD31432112
IUPAC Name:
5-propan-2-yl-1-oxaspiro[2.3]hexane-2-carbonitrile
InChI:
InChI=1S/C9H13NO/c1-6(2)7-3-9(4-7)8(5-10)11-9/h6-8H,3-4H2,1-2H3
InChI Key:
XTWRYMHBXHCOIC-UHFFFAOYSA-N
SMILES:
N#CC1OC21CC(C2)C(C)C
Properties
Complexity:
219
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:
1
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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