6-carboxy-7-hydroxynaphthalen-1-olate

C11H7O4- — CID 54694260

IUPAC6-carboxy-7-hydroxynaphthalen-1-olate
SMILESO=C(O)c1cc2cccc([O-])c2cc1O
InChIInChI=1S/C11H8O4/c12-9-3-1-2-6-4-8(11(14)15)10(13)5-7(6)9/h1-5,12-13H,(H,14,15)/p-1
InChIKeyYELLAPKUWRTITI-UHFFFAOYSA-M
MW203.17 g/mol
LogP1.32
Rot. Bonds1

About 6-carboxy-7-hydroxynaphthalen-1-olate

6-carboxy-7-hydroxynaphthalen-1-olate (PubChem CID 54694260) has the molecular formula C11H7O4- and a molecular weight of 203.17 g/mol. Its IUPAC name is 6-carboxy-7-hydroxynaphthalen-1-olate.

Molecular Properties

Compound Name6-carboxy-7-hydroxynaphthalen-1-olate
PubChem CID54694260
Molecular FormulaC11H7O4-
Molecular Weight203.17 g/mol
Exact Mass203.03
IUPAC Name6-carboxy-7-hydroxynaphthalen-1-olate
SMILESO=C(O)c1cc2cccc([O-])c2cc1O
InChIInChI=1S/C11H8O4/c12-9-3-1-2-6-4-8(11(14)15)10(13)5-7(6)9/h1-5,12-13H,(H,14,15)/p-1
InChIKeyYELLAPKUWRTITI-UHFFFAOYSA-M
XLogP1.32
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.17
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 69256301
CID 69256301
8-chloro-3-hydroxynaphthalene-2-carboxylic acid
CID 155346108
3-hydroxytriphenylene-2-carboxylic acid
CID 18963666
5-hydroxy-3-iodosylnaphthalene-2-carboxylic acid
CID 23357093
3-hydroxy-5-morpholin-4-ylsulfanylnaphthalene-2-carboxylic acid
CID 142938501
3-carboxy-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-olate
CID 54721974
1-(3,5-dihydroxynaphthalene-2-carbonyl)-3,5-dihydroxynaphthalene-2-carboxylic acid
CID 57055286
calcium;bis(3-carboxynaphthalen-2-olate);trihydrate
CID 54746328
zinc;bis(3-carboxynaphthalen-2-olate);dihydrate
CID 54706140
CID 172784976
CID 172784976
2-carboxy-3-hydroxyphenolate
CID 54676638
1-hydroxynaphthalene-2,3-dicarboxylic acid
CID 22665121

Frequently Asked Questions

What is the IUPAC name of 6-carboxy-7-hydroxynaphthalen-1-olate?
The IUPAC name of 6-carboxy-7-hydroxynaphthalen-1-olate (CID 54694260) is 6-carboxy-7-hydroxynaphthalen-1-olate.
What is the SMILES notation for 6-carboxy-7-hydroxynaphthalen-1-olate?
The canonical SMILES for 6-carboxy-7-hydroxynaphthalen-1-olate is O=C(O)c1cc2cccc([O-])c2cc1O.
What is the InChIKey of 6-carboxy-7-hydroxynaphthalen-1-olate?
The InChIKey is YELLAPKUWRTITI-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H8O4/c12-9-3-1-2-6-4-8(11(14)15)10(13)5-7(6)9/h1-5,12-13H,(H,14,15)/p-1.
What are the key properties of 6-carboxy-7-hydroxynaphthalen-1-olate?
6-carboxy-7-hydroxynaphthalen-1-olate has a molecular weight of 203.17 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carboxy-7-hydroxynaphthalen-1-olate is sourced from PubChem (CID 54694260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).