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Home > Other Heterocycles > 1862796-38-0
1862796-38-0 | 2,3-dihydrospiro[indene-1,2'-oxirane]-3'-carbonitrile
CAS No: 1862796-38-0 Catalog No: AG01C6MU MDL No:
Product Description
Catalog Number:
AG01C6MU
Chemical Name:
2,3-dihydrospiro[indene-1,2'-oxirane]-3'-carbonitrile
CAS Number:
1862796-38-0
Molecular Formula:
C11H9NO
Molecular Weight:
171.1953
IUPAC Name:
spiro[1,2-dihydroindene-3,3'-oxirane]-2'-carbonitrile
InChI:
InChI=1S/C11H9NO/c12-7-10-11(13-10)6-5-8-3-1-2-4-9(8)11/h1-4,10H,5-6H2
InChI Key:
AUBRMGLWPVUANJ-UHFFFAOYSA-N
SMILES:
N#CC1OC21CCc1c2cccc1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.199g/mol
Monoisotopic Mass:
171.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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