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155669-73-1 | Benzoic acid, 3-[(1,4-dihydro-3-hydroxy-1,4-dioxo-2-naphthalenyl)amino]-
CAS No: 155669-73-1 Catalog No: AG001O38 MDL No:
Product Description
Catalog Number:
AG001O38
Chemical Name:
Benzoic acid, 3-[(1,4-dihydro-3-hydroxy-1,4-dioxo-2-naphthalenyl)amino]-
CAS Number:
155669-73-1
Molecular Formula:
C17H11NO5
Molecular Weight:
309.2729
IUPAC Name:
3-[(1-hydroxy-3,4-dioxonaphthalen-2-yl)amino]benzoic acid
InChI:
InChI=1S/C17H11NO5/c19-14-11-6-1-2-7-12(11)15(20)16(21)13(14)18-10-5-3-4-9(8-10)17(22)23/h1-8,18-19H,(H,22,23)
InChI Key:
YPGDBZXOFSXXIA-UHFFFAOYSA-N
SMILES:
OC1=C(Nc2cccc(c2)C(=O)O)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.064g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
309.277g/mol
Monoisotopic Mass:
309.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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