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127661-83-0 | 1(6H)-Pyridazineacetic acid, 6-oxo-3,5-diphenyl-, ethyl ester
CAS No: 127661-83-0 Catalog No: AG000X9I MDL No:
Product Description
Catalog Number:
AG000X9I
Chemical Name:
1(6H)-Pyridazineacetic acid, 6-oxo-3,5-diphenyl-, ethyl ester
CAS Number:
127661-83-0
Molecular Formula:
C20H18N2O3
Molecular Weight:
334.3685
IUPAC Name:
ethyl 2-(6-oxo-3,5-diphenylpyridazin-1-yl)acetate
InChI:
InChI=1S/C20H18N2O3/c1-2-25-19(23)14-22-20(24)17(15-9-5-3-6-10-15)13-18(21-22)16-11-7-4-8-12-16/h3-13H,2,14H2,1H3
InChI Key:
HBTYOVKQXFFHLE-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cn1nc(cc(c1=O)c1ccccc1)c1ccccc1
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.132g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.375g/mol
Monoisotopic Mass:
334.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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