anthracene-1,2,3,7-tetracarboxylic acid

C18H10O8 — CID 57259844

IUPACanthracene-1,2,3,7-tetracarboxylic acid
SMILESO=C(O)c1ccc2cc3cc(C(=O)O)c(C(=O)O)c(C(=O)O)c3cc2c1
InChIInChI=1S/C18H10O8/c19-15(20)8-2-1-7-3-10-6-12(16(21)22)14(18(25)26)13(17(23)24)11(10)5-9(7)4-8/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)
InChIKeyPDXBKIQWZPLCEN-UHFFFAOYSA-N
MW354.27 g/mol
LogP2.79
Rot. Bonds4

About anthracene-1,2,3,7-tetracarboxylic acid

anthracene-1,2,3,7-tetracarboxylic acid (PubChem CID 57259844) has the molecular formula C18H10O8 and a molecular weight of 354.27 g/mol. Its IUPAC name is anthracene-1,2,3,7-tetracarboxylic acid.

Molecular Properties

Compound Nameanthracene-1,2,3,7-tetracarboxylic acid
PubChem CID57259844
Molecular FormulaC18H10O8
Molecular Weight354.27 g/mol
Exact Mass354.04
IUPAC Nameanthracene-1,2,3,7-tetracarboxylic acid
SMILESO=C(O)c1ccc2cc3cc(C(=O)O)c(C(=O)O)c(C(=O)O)c3cc2c1
InChIInChI=1S/C18H10O8/c19-15(20)8-2-1-7-3-10-6-12(16(21)22)14(18(25)26)13(17(23)24)11(10)5-9(7)4-8/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)
InChIKeyPDXBKIQWZPLCEN-UHFFFAOYSA-N
XLogP2.79
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

pentacene-2,6-dicarboxylic acid
CID 88551135
naphthalene-1,2,3,7-tetracarboxylic acid;titanium
CID 87515449
naphthalene-1,2,3,6,7-pentacarboxylic acid
CID 101297529
anthracene-1,3,6,7-tetracarboxylic acid
CID 18972239
hexacene-2-carboxylic acid
CID 87430666
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
CID 67200510
CID 67200510
naphthalene-2,7-dicarboxylic acid;hydrobromide
CID 175255726
ethene;naphthalene-2,6-dicarboxylic acid
CID 66988682
magnesium;hydride;naphthalene-2,6-dicarboxylic acid
CID 173052863
7-methylnaphthalene-1,2,3-tricarboxylic acid
CID 143435448

Frequently Asked Questions

What is the IUPAC name of anthracene-1,2,3,7-tetracarboxylic acid?
The IUPAC name of anthracene-1,2,3,7-tetracarboxylic acid (CID 57259844) is anthracene-1,2,3,7-tetracarboxylic acid.
What is the SMILES notation for anthracene-1,2,3,7-tetracarboxylic acid?
The canonical SMILES for anthracene-1,2,3,7-tetracarboxylic acid is O=C(O)c1ccc2cc3cc(C(=O)O)c(C(=O)O)c(C(=O)O)c3cc2c1.
What is the InChIKey of anthracene-1,2,3,7-tetracarboxylic acid?
The InChIKey is PDXBKIQWZPLCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O8/c19-15(20)8-2-1-7-3-10-6-12(16(21)22)14(18(25)26)13(17(23)24)11(10)5-9(7)4-8/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26).
What are the key properties of anthracene-1,2,3,7-tetracarboxylic acid?
anthracene-1,2,3,7-tetracarboxylic acid has a molecular weight of 354.27 g/mol, XLogP of 2.79, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-1,2,3,7-tetracarboxylic acid is sourced from PubChem (CID 57259844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).