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765910-12-1 | 2-OXO-1,2-DIHYDRO-3-QUINOLINECARBALDEHYDE SEMICARBAZONE
CAS No: 765910-12-1 Catalog No: AG005WSS MDL No:
Product Description
Catalog Number:
AG005WSS
Chemical Name:
2-OXO-1,2-DIHYDRO-3-QUINOLINECARBALDEHYDE SEMICARBAZONE
CAS Number:
765910-12-1
Molecular Formula:
C11H10N4O2
Molecular Weight:
230.2227
IUPAC Name:
[(2-oxo-1H-quinolin-3-yl)methylideneamino]urea
InChI:
InChI=1S/C11H10N4O2/c12-11(17)15-13-6-8-5-7-3-1-2-4-9(7)14-10(8)16/h1-6H,(H,14,16)(H3,12,15,17)
InChI Key:
MFRBPLGUQXCBRT-UHFFFAOYSA-N
SMILES:
NC(=O)NN=Cc1cc2ccccc2[nH]c1=O
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
230.227g/mol
Monoisotopic Mass:
230.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.2
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