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36018-63-0 | diethyl (8-hydroxyquinolin-2-yl)malonate
CAS No: 36018-63-0 Catalog No: AG00JGCT MDL No:MFCD00168971
Product Description
Catalog Number:
AG00JGCT
Chemical Name:
diethyl (8-hydroxyquinolin-2-yl)malonate
CAS Number:
36018-63-0
Molecular Formula:
C16H17NO5
Molecular Weight:
303.3099
MDL Number:
MFCD00168971
IUPAC Name:
diethyl 2-(8-hydroxyquinolin-2-yl)propanedioate
InChI:
InChI=1S/C16H17NO5/c1-3-21-15(19)13(16(20)22-4-2)11-9-8-10-6-5-7-12(18)14(10)17-11/h5-9,13,18H,3-4H2,1-2H3
InChI Key:
SPCVJOAWSRWHGS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccc2c(n1)c(O)ccc2)C(=O)OCC
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.111g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.314g/mol
Monoisotopic Mass:
303.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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