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1272756-15-6 | Spiro[cyclobutane-1,2'(1'H)-quinazoline]-5'-carboxylic acid, 3',4'-dihydro-4'-oxo-, ethyl ester
CAS No: 1272756-15-6 Catalog No: AG000WV0 MDL No:MFCD18651725
Product Description
Catalog Number:
AG000WV0
Chemical Name:
Spiro[cyclobutane-1,2'(1'H)-quinazoline]-5'-carboxylic acid, 3',4'-dihydro-4'-oxo-, ethyl ester
CAS Number:
1272756-15-6
Molecular Formula:
C14H16N2O3
Molecular Weight:
260.2884
MDL Number:
MFCD18651725
IUPAC Name:
ethyl 4-oxospiro[1,3-dihydroquinazoline-2,1'-cyclobutane]-5-carboxylate
InChI:
InChI=1S/C14H16N2O3/c1-2-19-13(18)9-5-3-6-10-11(9)12(17)16-14(15-10)7-4-8-14/h3,5-6,15H,2,4,7-8H2,1H3,(H,16,17)
InChI Key:
AGNWPRPDVABSRM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc2c1C(=O)NC1(N2)CCC1
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.293g/mol
Monoisotopic Mass:
260.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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