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Home > Other Heterocycles > 1935501-38-4
1935501-38-4 | 6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]-3'-carbonitrile
CAS No: 1935501-38-4 Catalog No: AG01C6YB MDL No:
Product Description
Catalog Number:
AG01C6YB
Chemical Name:
6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]-3'-carbonitrile
CAS Number:
1935501-38-4
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
IUPAC Name:
6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-oxirane]-2'-carbonitrile
InChI:
InChI=1S/C11H15NO/c1-10(2)7-3-4-11(8(10)5-7)9(6-12)13-11/h7-9H,3-5H2,1-2H3
InChI Key:
JWBOYNKWQXOYFO-UHFFFAOYSA-N
SMILES:
N#CC1OC21CCC1CC2C1(C)C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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