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Home > Other Heterocycles > 1872409-36-3
1872409-36-3 | 3-methyl-2,3-dihydrospiro[indene-1,2'-oxirane]-3'-carbonitrile
CAS No: 1872409-36-3 Catalog No: AG01C6OH MDL No:
Product Description
Catalog Number:
AG01C6OH
Chemical Name:
3-methyl-2,3-dihydrospiro[indene-1,2'-oxirane]-3'-carbonitrile
CAS Number:
1872409-36-3
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
IUPAC Name:
1-methylspiro[1,2-dihydroindene-3,3'-oxirane]-2'-carbonitrile
InChI:
InChI=1S/C12H11NO/c1-8-6-12(11(7-13)14-12)10-5-3-2-4-9(8)10/h2-5,8,11H,6H2,1H3
InChI Key:
LLXZQJHVIPLULX-UHFFFAOYSA-N
SMILES:
N#CC1OC21CC(c1c2cccc1)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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