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Home > Other Heterocycles > 898762-68-0
898762-68-0 | ETHYL 8-[3-[1,4-DIOXA-8-AZASPIRO[4.5]DECAN-8-YLMETHYL]PHENYL]-8-OXOOCTANOATE
CAS No: 898762-68-0 Catalog No: AG006NOW MDL No:
Product Description
Catalog Number:
AG006NOW
Chemical Name:
ETHYL 8-[3-[1,4-DIOXA-8-AZASPIRO[4.5]DECAN-8-YLMETHYL]PHENYL]-8-OXOOCTANOATE
CAS Number:
898762-68-0
Molecular Formula:
C24H35NO5
Molecular Weight:
417.5384
IUPAC Name:
ethyl 8-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]-8-oxooctanoate
InChI:
InChI=1S/C24H35NO5/c1-2-28-23(27)11-6-4-3-5-10-22(26)21-9-7-8-20(18-21)19-25-14-12-24(13-15-25)29-16-17-30-24/h7-9,18H,2-6,10-17,19H2,1H3
InChI Key:
YLZNCCUSJPRGNL-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCC(=O)c1cccc(c1)CN1CCC2(CC1)OCCO2
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.252g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
417.546g/mol
Monoisotopic Mass:
417.252g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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