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927903-28-4 | 2-Propenoic acid, (8-hydroxy-5-quinolinyl)methyl ester
CAS No: 927903-28-4 Catalog No: AG0060T2 MDL No:
Product Description
Catalog Number:
AG0060T2
Chemical Name:
2-Propenoic acid, (8-hydroxy-5-quinolinyl)methyl ester
CAS Number:
927903-28-4
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
IUPAC Name:
(8-hydroxyquinolin-5-yl)methyl prop-2-enoate
InChI:
InChI=1S/C13H11NO3/c1-2-12(16)17-8-9-5-6-11(15)13-10(9)4-3-7-14-13/h2-7,15H,1,8H2
InChI Key:
QIXGTDMIHFUWMT-UHFFFAOYSA-N
SMILES:
C=CC(=O)OCc1ccc(c2c1cccn2)O
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.235g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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