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1272756-04-3 | Spiro[cyclobutane-1,2'(1'H)-quinazoline]-5'-carboxylic acid, 3',4'-dihydro-4'-oxo-
CAS No: 1272756-04-3 Catalog No: AG000WVB MDL No:MFCD18651726
Product Description
Catalog Number:
AG000WVB
Chemical Name:
Spiro[cyclobutane-1,2'(1'H)-quinazoline]-5'-carboxylic acid, 3',4'-dihydro-4'-oxo-
CAS Number:
1272756-04-3
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
MDL Number:
MFCD18651726
IUPAC Name:
4-oxospiro[1,3-dihydroquinazoline-2,1'-cyclobutane]-5-carboxylic acid
InChI:
InChI=1S/C12H12N2O3/c15-10-9-7(11(16)17)3-1-4-8(9)13-12(14-10)5-2-6-12/h1,3-4,13H,2,5-6H2,(H,14,15)(H,16,17)
InChI Key:
DCRWDISMMWPNQV-UHFFFAOYSA-N
SMILES:
O=C1NC2(CCC2)Nc2c1c(ccc2)C(=O)O
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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