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Home > Other Heterocycles > 179-18-0
179-18-0 | Spiro[cyclohexane-1,2'(1'H)-quinazoline] (8CI,9CI)
CAS No: 179-18-0 Catalog No: AG0026OF MDL No:
Product Description
Catalog Number:
AG0026OF
Chemical Name:
Spiro[cyclohexane-1,2'(1'H)-quinazoline] (8CI,9CI)
CAS Number:
179-18-0
Molecular Formula:
C13H16N2
Molecular Weight:
200.2795
IUPAC Name:
spiro[1H-quinazoline-2,1'-cyclohexane]
InChI:
InChI=1S/C13H16N2/c1-4-8-13(9-5-1)14-10-11-6-2-3-7-12(11)15-13/h2-3,6-7,10,15H,1,4-5,8-9H2
InChI Key:
DPEKJPRKZLFNNA-UHFFFAOYSA-N
SMILES:
C1CCC2(CC1)N=Cc1c(N2)cccc1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.285g/mol
Monoisotopic Mass:
200.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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