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Home > Other Heterocycles > 898762-55-5
898762-55-5 | CYCLOHEXYL 3-[1,4-DIOXA-8-AZASPIRO[4.5]DECAN-8-YLMETHYL]PHENYL KETONE
CAS No: 898762-55-5 Catalog No: AG006NOY MDL No:
Product Description
Catalog Number:
AG006NOY
Chemical Name:
CYCLOHEXYL 3-[1,4-DIOXA-8-AZASPIRO[4.5]DECAN-8-YLMETHYL]PHENYL KETONE
CAS Number:
898762-55-5
Molecular Formula:
C21H29NO3
Molecular Weight:
343.4599
IUPAC Name:
cyclohexyl-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
InChI:
InChI=1S/C21H29NO3/c23-20(18-6-2-1-3-7-18)19-8-4-5-17(15-19)16-22-11-9-21(10-12-22)24-13-14-25-21/h4-5,8,15,18H,1-3,6-7,9-14,16H2
InChI Key:
GYIAFHJYPPXGDU-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)CN1CCC2(CC1)OCCO2)C1CCCCC1
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.215g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.467g/mol
Monoisotopic Mass:
343.215g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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