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144337-62-2 | 2-Naphthalenecarboxylic acid, 3-hydroxy-5-[2-(4-methoxyphenyl)diazenyl]-
CAS No: 144337-62-2 Catalog No: AG001JD3 MDL No:
Product Description
Catalog Number:
AG001JD3
Chemical Name:
2-Naphthalenecarboxylic acid, 3-hydroxy-5-[2-(4-methoxyphenyl)diazenyl]-
CAS Number:
144337-62-2
Molecular Formula:
C18H14N2O4
Molecular Weight:
322.3148
IUPAC Name:
3-hydroxy-5-[(4-methoxyphenyl)diazenyl]naphthalene-2-carboxylic acid
InChI:
InChI=1S/C18H14N2O4/c1-24-13-7-5-12(6-8-13)19-20-16-4-2-3-11-9-15(18(22)23)17(21)10-14(11)16/h2-10,21H,1H3,(H,22,23)
InChI Key:
ABRNHTKKNGFWMH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N=Nc1cccc2c1cc(O)c(c2)C(=O)O
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.095g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.32g/mol
Monoisotopic Mass:
322.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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