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116270-38-3 | 3-Quinolinecarboxylic acid, 2,4-dimethyl-, ethyl ester, hydrochloride (1:1)
CAS No: 116270-38-3 Catalog No: AG000C2M MDL No:
Product Description
Catalog Number:
AG000C2M
Chemical Name:
3-Quinolinecarboxylic acid, 2,4-dimethyl-, ethyl ester, hydrochloride (1:1)
CAS Number:
116270-38-3
Molecular Formula:
C14H16ClNO2
Molecular Weight:
265.7353
IUPAC Name:
ethyl 2,4-dimethylquinoline-3-carboxylate;hydrochloride
InChI:
InChI=1S/C14H15NO2.ClH/c1-4-17-14(16)13-9(2)11-7-5-6-8-12(11)15-10(13)3;/h5-8H,4H2,1-3H3;1H
InChI Key:
JRROHGCYECMKPL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)nc2c(c1C)cccc2.Cl
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.087g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.737g/mol
Monoisotopic Mass:
265.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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