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Home > Other Heterocycles > 1272756-09-8
1272756-09-8 | Spiro[cyclobutane-1,2'(1'H)-quinazoline]-5'-carbonitrile, 3',4'-dihydro-4'-oxo-
CAS No: 1272756-09-8 Catalog No: AG000WV6 MDL No:MFCD18651724
Product Description
Catalog Number:
AG000WV6
Chemical Name:
Spiro[cyclobutane-1,2'(1'H)-quinazoline]-5'-carbonitrile, 3',4'-dihydro-4'-oxo-
CAS Number:
1272756-09-8
Molecular Formula:
C12H11N3O
Molecular Weight:
213.2352
MDL Number:
MFCD18651724
IUPAC Name:
4-oxospiro[1,3-dihydroquinazoline-2,1'-cyclobutane]-5-carbonitrile
InChI:
InChI=1S/C12H11N3O/c13-7-8-3-1-4-9-10(8)11(16)15-12(14-9)5-2-6-12/h1,3-4,14H,2,5-6H2,(H,15,16)
InChI Key:
SMAMBBUOJYXRFU-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1C(=O)NC1(N2)CCC1
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.24g/mol
Monoisotopic Mass:
213.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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