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69579-72-2 | 2-Naphthalenecarboxylicacid, 5-[2-(4-carboxyphenyl)diazenyl]-6-hydroxy-
CAS No: 69579-72-2 Catalog No: AG005K48 MDL No:
Product Description
Catalog Number:
AG005K48
Chemical Name:
2-Naphthalenecarboxylicacid, 5-[2-(4-carboxyphenyl)diazenyl]-6-hydroxy-
CAS Number:
69579-72-2
Molecular Formula:
C18H12N2O5
Molecular Weight:
336.2983
IUPAC Name:
5-[(4-carboxyphenyl)diazenyl]-6-hydroxynaphthalene-2-carboxylic acid
InChI:
InChI=1S/C18H12N2O5/c21-15-8-4-11-9-12(18(24)25)3-7-14(11)16(15)20-19-13-5-1-10(2-6-13)17(22)23/h1-9,21H,(H,22,23)(H,24,25)
InChI Key:
WRYYBMXPRSWDMA-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)N=Nc1c(O)ccc2c1ccc(c2)C(=O)O
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.075g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
336.303g/mol
Monoisotopic Mass:
336.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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