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89811-42-7 | 1,4-Phthalazinedione, 2-ethyl-2,3-dihydro-3-phenyl-
CAS No: 89811-42-7 Catalog No: AG003ZAQ MDL No:
Product Description
Catalog Number:
AG003ZAQ
Chemical Name:
1,4-Phthalazinedione, 2-ethyl-2,3-dihydro-3-phenyl-
CAS Number:
89811-42-7
Molecular Formula:
C16H14N2O2
Molecular Weight:
266.2946
IUPAC Name:
2-ethyl-3-phenylphthalazine-1,4-dione
InChI:
InChI=1S/C16H14N2O2/c1-2-17-15(19)13-10-6-7-11-14(13)16(20)18(17)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChI Key:
YJWDDJVPTSUAOU-UHFFFAOYSA-N
SMILES:
CCn1n(c2ccccc2)c(=O)c2c(c1=O)cccc2
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.3g/mol
Monoisotopic Mass:
266.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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