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Home > Other Heterocycles > 898761-87-0
898761-87-0 | 2,6-DIMETHYL-3'-[1,4-DIOXA-8-AZASPIRO[4.5]DECAN-8-YLMETHYL]BENZOPHENONE
CAS No: 898761-87-0 Catalog No: AG006NP8 MDL No:
Product Description
Catalog Number:
AG006NP8
Chemical Name:
2,6-DIMETHYL-3'-[1,4-DIOXA-8-AZASPIRO[4.5]DECAN-8-YLMETHYL]BENZOPHENONE
CAS Number:
898761-87-0
Molecular Formula:
C23H27NO3
Molecular Weight:
365.4654
IUPAC Name:
(2,6-dimethylphenyl)-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
InChI:
InChI=1S/C23H27NO3/c1-17-5-3-6-18(2)21(17)22(25)20-8-4-7-19(15-20)16-24-11-9-23(10-12-24)26-13-14-27-23/h3-8,15H,9-14,16H2,1-2H3
InChI Key:
ZKMUSAHBNIBMOB-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1C(=O)c1cccc(c1)CN1CCC2(CC1)OCCO2)C
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.199g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.473g/mol
Monoisotopic Mass:
365.199g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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