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1272756-22-5 | Spiro[cyclopentane-1,2'(1'H)-quinazoline]-5'-carboxylic acid, 3',4'-dihydro-4'-oxo-, ethyl ester
CAS No: 1272756-22-5 Catalog No: AG000WUT MDL No:MFCD18651730
Product Description
Catalog Number:
AG000WUT
Chemical Name:
Spiro[cyclopentane-1,2'(1'H)-quinazoline]-5'-carboxylic acid, 3',4'-dihydro-4'-oxo-, ethyl ester
CAS Number:
1272756-22-5
Molecular Formula:
C15H18N2O3
Molecular Weight:
274.3150
MDL Number:
MFCD18651730
IUPAC Name:
ethyl 4-oxospiro[1,3-dihydroquinazoline-2,1'-cyclopentane]-5-carboxylate
InChI:
InChI=1S/C15H18N2O3/c1-2-20-14(19)10-6-5-7-11-12(10)13(18)17-15(16-11)8-3-4-9-15/h5-7,16H,2-4,8-9H2,1H3,(H,17,18)
InChI Key:
HHKRHDNJHDDIAV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc2c1C(=O)NC1(N2)CCCC1
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.132g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.32g/mol
Monoisotopic Mass:
274.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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