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82232-21-1 | (5-CYANO-6-OXO-3,4-DIPHENYL-1(6H)-PYRIDAZINYL)ACETIC ACID
CAS No: 82232-21-1 Catalog No: AG0050CV MDL No:
Product Description
Catalog Number:
AG0050CV
Chemical Name:
(5-CYANO-6-OXO-3,4-DIPHENYL-1(6H)-PYRIDAZINYL)ACETIC ACID
CAS Number:
82232-21-1
Molecular Formula:
C19H13N3O3
Molecular Weight:
331.3248
IUPAC Name:
2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)acetic acid
InChI:
InChI=1S/C19H13N3O3/c20-11-15-17(13-7-3-1-4-8-13)18(14-9-5-2-6-10-14)21-22(19(15)25)12-16(23)24/h1-10H,12H2,(H,23,24)
InChI Key:
YHGCWBRBAPIPDG-UHFFFAOYSA-N
SMILES:
N#Cc1c(c2ccccc2)c(nn(c1=O)CC(=O)O)c1ccccc1
NSC Number:
362449
Properties
Complexity:
659
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.096g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.331g/mol
Monoisotopic Mass:
331.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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