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Home > Other Heterocycles > 116247-91-7
116247-91-7 | 1,4-Dioxa-8-azaspiro[4.5]decane, 8-(2-pyrimidinyl)-
CAS No: 116247-91-7 Catalog No: AG000C1A MDL No:MFCD11830113
Product Description
Catalog Number:
AG000C1A
Chemical Name:
1,4-Dioxa-8-azaspiro[4.5]decane, 8-(2-pyrimidinyl)-
CAS Number:
116247-91-7
Molecular Formula:
C11H15N3O2
Molecular Weight:
221.2557
MDL Number:
MFCD11830113
IUPAC Name:
8-pyrimidin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane
InChI:
InChI=1S/C11H15N3O2/c1-4-12-10(13-5-1)14-6-2-11(3-7-14)15-8-9-16-11/h1,4-5H,2-3,6-9H2
InChI Key:
SRPHEDYYKMSFEH-UHFFFAOYSA-N
SMILES:
C1COC2(O1)CCN(CC2)c1ncccn1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.26g/mol
Monoisotopic Mass:
221.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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