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100857-76-9 | 4-Quinolinecarboxylic acid, 2-[(2-ethylhydrazinylidene)methyl]-
CAS No: 100857-76-9 Catalog No: AG00031G MDL No:
Product Description
Catalog Number:
AG00031G
Chemical Name:
4-Quinolinecarboxylic acid, 2-[(2-ethylhydrazinylidene)methyl]-
CAS Number:
100857-76-9
Molecular Formula:
C13H13N3O2
Molecular Weight:
243.2612
IUPAC Name:
2-[(ethylhydrazinylidene)methyl]quinoline-4-carboxylic acid
InChI:
InChI=1S/C13H13N3O2/c1-2-14-15-8-9-7-11(13(17)18)10-5-3-4-6-12(10)16-9/h3-8,14H,2H2,1H3,(H,17,18)
InChI Key:
MJOPWNOUPUCARG-UHFFFAOYSA-N
SMILES:
CCNN=Cc1nc2ccccc2c(c1)C(=O)O
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.101g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.266g/mol
Monoisotopic Mass:
243.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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