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1261631-01-9 | 6-Quinolinecarboxylic acid, 7-hydroxy-, ethyl ester
CAS No: 1261631-01-9 Catalog No: AG000RWZ MDL No:MFCD18416646
Product Description
Catalog Number:
AG000RWZ
Chemical Name:
6-Quinolinecarboxylic acid, 7-hydroxy-, ethyl ester
CAS Number:
1261631-01-9
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
MDL Number:
MFCD18416646
IUPAC Name:
ethyl 7-hydroxyquinoline-6-carboxylate
InChI:
InChI=1S/C12H11NO3/c1-2-16-12(15)9-6-8-4-3-5-13-10(8)7-11(9)14/h3-7,14H,2H2,1H3
InChI Key:
ZNZJMAXKSBFHSD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2cccnc2cc1O
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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