10-oxo-9H-anthracene-1,2,3,4-tetracarboxylic acid

C18H10O9 — CID 19860324

IUPAC10-oxo-9H-anthracene-1,2,3,4-tetracarboxylic acid
SMILESO=C(O)c1c2c(c(C(=O)O)c(C(=O)O)c1C(=O)O)C(=O)c1ccccc1C2
InChIInChI=1S/C18H10O9/c19-14-7-4-2-1-3-6(7)5-8-9(14)11(16(22)23)13(18(26)27)12(17(24)25)10(8)15(20)21/h1-4H,5H2,(H,20,21)(H,22,23)(H,24,25)(H,26,27)
InChIKeyFNBZSYRWHGHWTM-UHFFFAOYSA-N
MW370.27 g/mol
LogP1.61
Rot. Bonds4

About 10-oxo-9H-anthracene-1,2,3,4-tetracarboxylic acid

10-oxo-9H-anthracene-1,2,3,4-tetracarboxylic acid (PubChem CID 19860324) has the molecular formula C18H10O9 and a molecular weight of 370.27 g/mol. Its IUPAC name is 10-oxo-9H-anthracene-1,2,3,4-tetracarboxylic acid.

Molecular Properties

Compound Name10-oxo-9H-anthracene-1,2,3,4-tetracarboxylic acid
PubChem CID19860324
Molecular FormulaC18H10O9
Molecular Weight370.27 g/mol
Exact Mass370.03
IUPAC Name10-oxo-9H-anthracene-1,2,3,4-tetracarboxylic acid
SMILESO=C(O)c1c2c(c(C(=O)O)c(C(=O)O)c1C(=O)O)C(=O)c1ccccc1C2
InChIInChI=1S/C18H10O9/c19-14-7-4-2-1-3-6(7)5-8-9(14)11(16(22)23)13(18(26)27)12(17(24)25)10(8)15(20)21/h1-4H,5H2,(H,20,21)(H,22,23)(H,24,25)(H,26,27)
InChIKeyFNBZSYRWHGHWTM-UHFFFAOYSA-N
XLogP1.61
TPSA166.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-oxo-9H-anthracene-1,2,3,4-tetracarboxylic acid?
The IUPAC name of 10-oxo-9H-anthracene-1,2,3,4-tetracarboxylic acid (CID 19860324) is 10-oxo-9H-anthracene-1,2,3,4-tetracarboxylic acid.
What is the SMILES notation for 10-oxo-9H-anthracene-1,2,3,4-tetracarboxylic acid?
The canonical SMILES for 10-oxo-9H-anthracene-1,2,3,4-tetracarboxylic acid is O=C(O)c1c2c(c(C(=O)O)c(C(=O)O)c1C(=O)O)C(=O)c1ccccc1C2.
What is the InChIKey of 10-oxo-9H-anthracene-1,2,3,4-tetracarboxylic acid?
The InChIKey is FNBZSYRWHGHWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O9/c19-14-7-4-2-1-3-6(7)5-8-9(14)11(16(22)23)13(18(26)27)12(17(24)25)10(8)15(20)21/h1-4H,5H2,(H,20,21)(H,22,23)(H,24,25)(H,26,27).
What are the key properties of 10-oxo-9H-anthracene-1,2,3,4-tetracarboxylic acid?
10-oxo-9H-anthracene-1,2,3,4-tetracarboxylic acid has a molecular weight of 370.27 g/mol, XLogP of 1.61, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxo-9H-anthracene-1,2,3,4-tetracarboxylic acid is sourced from PubChem (CID 19860324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).