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102769-85-7 | 2-Naphthalenecarboxylic acid, 1-hydroxy-4-[2-(2-methoxyphenyl)diazenyl]-
CAS No: 102769-85-7 Catalog No: AG0008BM MDL No:
Product Description
Catalog Number:
AG0008BM
Chemical Name:
2-Naphthalenecarboxylic acid, 1-hydroxy-4-[2-(2-methoxyphenyl)diazenyl]-
CAS Number:
102769-85-7
Molecular Formula:
C18H14N2O4
Molecular Weight:
322.3148
IUPAC Name:
1-hydroxy-4-[(2-methoxyphenyl)diazenyl]naphthalene-2-carboxylic acid
InChI:
InChI=1S/C18H14N2O4/c1-24-16-9-5-4-8-14(16)19-20-15-10-13(18(22)23)17(21)12-7-3-2-6-11(12)15/h2-10,21H,1H3,(H,22,23)
InChI Key:
XVVNSYPASGOJCF-UHFFFAOYSA-N
SMILES:
COc1ccccc1N=Nc1cc(C(=O)O)c(c2c1cccc2)O
Properties
Complexity:
470
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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