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Home > Other Heterocycles > 918644-66-3
918644-66-3 | 3-Azaspiro[5.5]undecane, 9-[(6-methoxy-2-naphthalenyl)oxy]-
CAS No: 918644-66-3 Catalog No: AG006OPE MDL No:
Product Description
Catalog Number:
AG006OPE
Chemical Name:
3-Azaspiro[5.5]undecane, 9-[(6-methoxy-2-naphthalenyl)oxy]-
CAS Number:
918644-66-3
Molecular Formula:
C21H27NO2
Molecular Weight:
325.4446
IUPAC Name:
9-(6-methoxynaphthalen-2-yl)oxy-3-azaspiro[5.5]undecane
InChI:
InChI=1S/C21H27NO2/c1-23-19-4-2-17-15-20(5-3-16(17)14-19)24-18-6-8-21(9-7-18)10-12-22-13-11-21/h2-5,14-15,18,22H,6-13H2,1H3
InChI Key:
HJHNNBORRIUETC-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ccc(c2)OC1CCC2(CC1)CCNCC2
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.204g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.452g/mol
Monoisotopic Mass:
325.204g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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