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102126-34-1 | 1,4-Phthalazinedione, 2,3-dihydro-6-[(1E)-2-(4-methoxyphenyl)ethenyl]- (9CI)
CAS No: 102126-34-1 Catalog No: AG0006O8 MDL No:
Product Description
Catalog Number:
AG0006O8
Chemical Name:
1,4-Phthalazinedione, 2,3-dihydro-6-[(1E)-2-(4-methoxyphenyl)ethenyl]- (9CI)
CAS Number:
102126-34-1
Molecular Formula:
C17H14N2O3
Molecular Weight:
294.3047
IUPAC Name:
6-[2-(4-methoxyphenyl)ethenyl]-2,3-dihydrophthalazine-1,4-dione
InChI:
InChI=1S/C17H14N2O3/c1-22-13-7-4-11(5-8-13)2-3-12-6-9-14-15(10-12)17(21)19-18-16(14)20/h2-10H,1H3,(H,18,20)(H,19,21)
InChI Key:
SYVBOZPSEPJDQN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)/C=C/c1ccc2c(c1)c(=O)[nH][nH]c2=O
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.31g/mol
Monoisotopic Mass:
294.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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