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89648-44-2 | Phenol, 2-[(2-hydroxy-5-methoxy-4-methylphenyl)azo]-3,4,6-trimethyl-
CAS No: 89648-44-2 Catalog No: AG003VJN MDL No:
Product Description
Catalog Number:
AG003VJN
Chemical Name:
Phenol, 2-[(2-hydroxy-5-methoxy-4-methylphenyl)azo]-3,4,6-trimethyl-
CAS Number:
89648-44-2
Molecular Formula:
C17H20N2O3
Molecular Weight:
300.3523
IUPAC Name:
2-[(2-hydroxy-5-methoxy-4-methylphenyl)diazenyl]-3,4,6-trimethylphenol
InChI:
InChI=1S/C17H20N2O3/c1-9-6-11(3)17(21)16(12(9)4)19-18-13-8-15(22-5)10(2)7-14(13)20/h6-8,20-21H,1-5H3
InChI Key:
TUTYZDHPRMMQPP-UHFFFAOYSA-N
SMILES:
COc1cc(N=Nc2c(C)c(C)cc(c2O)C)c(cc1C)O
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.147g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
300.358g/mol
Monoisotopic Mass:
300.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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