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Home > Other Heterocycles > 1861023-08-6
1861023-08-6 | 5-(2-methylpropyl)-1-oxaspiro[2.5]octane-2-carbonitrile
CAS No: 1861023-08-6 Catalog No: AG01C6PL MDL No:MFCD31432253
Product Description
Catalog Number:
AG01C6PL
Chemical Name:
5-(2-methylpropyl)-1-oxaspiro[2.5]octane-2-carbonitrile
CAS Number:
1861023-08-6
Molecular Formula:
C12H19NO
Molecular Weight:
193.2854
MDL Number:
MFCD31432253
IUPAC Name:
5-(2-methylpropyl)-1-oxaspiro[2.5]octane-2-carbonitrile
InChI:
InChI=1S/C12H19NO/c1-9(2)6-10-4-3-5-12(7-10)11(8-13)14-12/h9-11H,3-7H2,1-2H3
InChI Key:
ZGBRPGRROLVEMV-UHFFFAOYSA-N
SMILES:
N#CC1OC21CCCC(C2)CC(C)C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.147g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.29g/mol
Monoisotopic Mass:
193.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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