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Home > Other Heterocycles > 918650-80-3
918650-80-3 | 3-Azaspiro[5.5]undec-8-ene, 9-(6-methoxy-2-naphthalenyl)-
CAS No: 918650-80-3 Catalog No: AG006O7P MDL No:
Product Description
Catalog Number:
AG006O7P
Chemical Name:
3-Azaspiro[5.5]undec-8-ene, 9-(6-methoxy-2-naphthalenyl)-
CAS Number:
918650-80-3
Molecular Formula:
C21H25NO
Molecular Weight:
307.4293
IUPAC Name:
9-(6-methoxynaphthalen-2-yl)-3-azaspiro[5.5]undec-9-ene
InChI:
InChI=1S/C21H25NO/c1-23-20-5-4-18-14-17(2-3-19(18)15-20)16-6-8-21(9-7-16)10-12-22-13-11-21/h2-6,14-15,22H,7-13H2,1H3
InChI Key:
HCZGRDFJPIIJTP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ccc(c2)C1=CCC2(CC1)CCNCC2
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.194g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.437g/mol
Monoisotopic Mass:
307.194g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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