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27703-97-5 | Benzaldehyde, m-hydroxy-, 1,4-phthalazinediyldihydrazone (8CI)
CAS No: 27703-97-5 Catalog No: AG002UK9 MDL No:
Product Description
Catalog Number:
AG002UK9
Chemical Name:
Benzaldehyde, m-hydroxy-, 1,4-phthalazinediyldihydrazone (8CI)
CAS Number:
27703-97-5
Molecular Formula:
C22H18N6O2
Molecular Weight:
398.4173
IUPAC Name:
3-[[[4-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
InChI:
InChI=1S/C22H18N6O2/c29-17-7-3-5-15(11-17)13-23-25-21-19-9-1-2-10-20(19)22(28-27-21)26-24-14-16-6-4-8-18(30)12-16/h1-14,29-30H,(H,25,27)(H,26,28)
InChI Key:
GWXOMCKJFPEHFY-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)C=NNc1nnc(c2c1cccc2)NN=Cc1cccc(c1)O
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.149g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
398.426g/mol
Monoisotopic Mass:
398.149g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.3
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