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Home > Other Heterocycles > 898761-59-6
898761-59-6 | 3-CARBOETHOXY-3'-[1,4-DIOXA-8-AZASPIRO[4.5]DECAN-8-YLMETHYL]BENZOPHENONE
CAS No: 898761-59-6 Catalog No: AG006NPA MDL No:
Product Description
Catalog Number:
AG006NPA
Chemical Name:
3-CARBOETHOXY-3'-[1,4-DIOXA-8-AZASPIRO[4.5]DECAN-8-YLMETHYL]BENZOPHENONE
CAS Number:
898761-59-6
Molecular Formula:
C24H27NO5
Molecular Weight:
409.4749
IUPAC Name:
ethyl 3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)benzoyl]benzoate
InChI:
InChI=1S/C24H27NO5/c1-2-28-23(27)21-8-4-7-20(16-21)22(26)19-6-3-5-18(15-19)17-25-11-9-24(10-12-25)29-13-14-30-24/h3-8,15-16H,2,9-14,17H2,1H3
InChI Key:
AYEOMNMHLAPYHS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1)C(=O)c1cccc(c1)CN1CCC2(CC1)OCCO2
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.189g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
409.482g/mol
Monoisotopic Mass:
409.189g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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