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Home > Other Heterocycles > 1879987-67-3
1879987-67-3 | 6-methoxy-2,3-dihydrospiro[indene-1,2'-oxirane]-3'-carbonitrile
CAS No: 1879987-67-3 Catalog No: AG01C6QH MDL No:
Product Description
Catalog Number:
AG01C6QH
Chemical Name:
6-methoxy-2,3-dihydrospiro[indene-1,2'-oxirane]-3'-carbonitrile
CAS Number:
1879987-67-3
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
IUPAC Name:
5-methoxyspiro[1,2-dihydroindene-3,3'-oxirane]-2'-carbonitrile
InChI:
InChI=1S/C12H11NO2/c1-14-9-3-2-8-4-5-12(10(8)6-9)11(7-13)15-12/h2-3,6,11H,4-5H2,1H3
InChI Key:
HKRAIFDNGUIOIS-UHFFFAOYSA-N
SMILES:
N#CC1OC21CCc1c2cc(OC)cc1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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