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89444-79-1 | 2-Naphthalenol, 1-[(3-methoxy-5-methylphenyl)azo]-
CAS No: 89444-79-1 Catalog No: AG004374 MDL No:
Product Description
Catalog Number:
AG004374
Chemical Name:
2-Naphthalenol, 1-[(3-methoxy-5-methylphenyl)azo]-
CAS Number:
89444-79-1
Molecular Formula:
C18H16N2O2
Molecular Weight:
292.3318
IUPAC Name:
1-[(3-methoxy-5-methylphenyl)diazenyl]naphthalen-2-ol
InChI:
InChI=1S/C18H16N2O2/c1-12-9-14(11-15(10-12)22-2)19-20-18-16-6-4-3-5-13(16)7-8-17(18)21/h3-11,21H,1-2H3
InChI Key:
XIJFSUFGMFPNRJ-UHFFFAOYSA-N
SMILES:
COc1cc(N=Nc2c(O)ccc3c2cccc3)cc(c1)C
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.338g/mol
Monoisotopic Mass:
292.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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