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113943-13-8 | [1]Benzopyrano[2,3-c]pyrazol-3(2H)-one, 7-(diethylamino)-2-phenyl-
CAS No: 113943-13-8 Catalog No: AG000A4D MDL No:
Product Description
Catalog Number:
AG000A4D
Chemical Name:
[1]Benzopyrano[2,3-c]pyrazol-3(2H)-one, 7-(diethylamino)-2-phenyl-
CAS Number:
113943-13-8
Molecular Formula:
C20H19N3O2
Molecular Weight:
333.3838
IUPAC Name:
7-(diethylamino)-2-phenylchromeno[2,3-c]pyrazol-3-one
InChI:
InChI=1S/C20H19N3O2/c1-3-22(4-2)16-11-10-14-12-17-19(25-18(14)13-16)21-23(20(17)24)15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3
InChI Key:
UYAYYXRMFDUGAT-UHFFFAOYSA-N
SMILES:
CCN(c1ccc2c(c1)oc1c(c2)c(=O)n(n1)c1ccccc1)CC
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.148g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.391g/mol
Monoisotopic Mass:
333.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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