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Home > Other Heterocycles > 1872001-58-5
1872001-58-5 | 5-methyl-1-oxaspiro[2.3]hexane-2-carbonitrile
CAS No: 1872001-58-5 Catalog No: AG01C6SH MDL No:MFCD31432380
Product Description
Catalog Number:
AG01C6SH
Chemical Name:
5-methyl-1-oxaspiro[2.3]hexane-2-carbonitrile
CAS Number:
1872001-58-5
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
MDL Number:
MFCD31432380
IUPAC Name:
5-methyl-1-oxaspiro[2.3]hexane-2-carbonitrile
InChI:
InChI=1S/C7H9NO/c1-5-2-7(3-5)6(4-8)9-7/h5-6H,2-3H2,1H3
InChI Key:
JHJLIDRUXGGMJR-UHFFFAOYSA-N
SMILES:
CC1CC2(C1)OC2C#N
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.155g/mol
Monoisotopic Mass:
123.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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