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Home > Other Heterocycles > 85609-19-4
85609-19-4 | 1-Oxa-5-azaspiro[5.5]undecane, 5-(1,3-dioxobutyl)-8-methyl-
CAS No: 85609-19-4 Catalog No: AG004Q9L MDL No:
Product Description
Catalog Number:
AG004Q9L
Chemical Name:
1-Oxa-5-azaspiro[5.5]undecane, 5-(1,3-dioxobutyl)-8-methyl-
CAS Number:
85609-19-4
Molecular Formula:
C14H23NO3
Molecular Weight:
253.3373
IUPAC Name:
1-(10-methyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)butane-1,3-dione
InChI:
InChI=1S/C14H23NO3/c1-11-5-3-6-14(10-11)15(7-4-8-18-14)13(17)9-12(2)16/h11H,3-10H2,1-2H3
InChI Key:
VVQFZJVAWCTANY-UHFFFAOYSA-N
SMILES:
CC1CCCC2(C1)OCCCN2C(=O)CC(=O)C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.168g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.342g/mol
Monoisotopic Mass:
253.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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