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Home > Other Heterocycles > 58996-10-4
58996-10-4 | 1',5',6',7'-TETRAHYDROSPIRO[CYCLOHEXANE-1,2'-CYCLOPENTA[D]PYRIMIDIN]-4'(3+
CAS No: 58996-10-4 Catalog No: AG01APJK MDL No:MFCD00452566
Product Description
Catalog Number:
AG01APJK
Chemical Name:
1',5',6',7'-TETRAHYDROSPIRO[CYCLOHEXANE-1,2'-CYCLOPENTA[D]PYRIMIDIN]-4'(3+
CAS Number:
58996-10-4
Molecular Formula:
C12H18N2O
Molecular Weight:
206.2841
MDL Number:
MFCD00452566
IUPAC Name:
spiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-2,1'-cyclohexane]-4-one
InChI:
InChI=1S/C12H18N2O/c15-11-9-5-4-6-10(9)13-12(14-11)7-2-1-3-8-12/h13H,1-8H2,(H,14,15)
InChI Key:
DHWUCXMIWCRSLV-UHFFFAOYSA-N
SMILES:
O=C1NC2(CCCCC2)NC2=C1CCC2
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.142g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.289g/mol
Monoisotopic Mass:
206.142g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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