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209905-69-1 | Phenol, 4-methyl-2,6-bis[(E)-(phenylimino)methyl]-
CAS No: 209905-69-1 Catalog No: AG002KH2 MDL No:
Product Description
Catalog Number:
AG002KH2
Chemical Name:
Phenol, 4-methyl-2,6-bis[(E)-(phenylimino)methyl]-
CAS Number:
209905-69-1
Molecular Formula:
C21H18N2O
Molecular Weight:
314.3804
IUPAC Name:
4-methyl-2,6-bis(phenyliminomethyl)phenol
InChI:
InChI=1S/C21H18N2O/c1-16-12-17(14-22-19-8-4-2-5-9-19)21(24)18(13-16)15-23-20-10-6-3-7-11-20/h2-15,24H,1H3
InChI Key:
QWLFKRSYCKAOHJ-UHFFFAOYSA-N
SMILES:
Cc1cc(/C=N/c2ccccc2)c(c(c1)/C=N/c1ccccc1)O
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.142g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.388g/mol
Monoisotopic Mass:
314.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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