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133284-83-0 | Propanedioic acid, 2-[(8-hydroxy-2-quinolinyl)methyl]-, 1,3-dimethyl ester
CAS No: 133284-83-0 Catalog No: AG0014JF MDL No:
Product Description
Catalog Number:
AG0014JF
Chemical Name:
Propanedioic acid, 2-[(8-hydroxy-2-quinolinyl)methyl]-, 1,3-dimethyl ester
CAS Number:
133284-83-0
Molecular Formula:
C15H15NO5
Molecular Weight:
289.2833
IUPAC Name:
dimethyl 2-[(8-hydroxyquinolin-2-yl)methyl]propanedioate
InChI:
InChI=1S/C15H15NO5/c1-20-14(18)11(15(19)21-2)8-10-7-6-9-4-3-5-12(17)13(9)16-10/h3-7,11,17H,8H2,1-2H3
InChI Key:
JCVZMPIWPHZFHX-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)OC)Cc1ccc2c(n1)c(O)ccc2
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.287g/mol
Monoisotopic Mass:
289.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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