anthracene-1,9-dicarboxylic acid

C16H10O4 — CID 13155838

IUPACanthracene-1,9-dicarboxylic acid
SMILESO=C(O)c1cccc2cc3ccccc3c(C(=O)O)c12
InChIInChI=1S/C16H10O4/c17-15(18)12-7-3-5-10-8-9-4-1-2-6-11(9)14(13(10)12)16(19)20/h1-8H,(H,17,18)(H,19,20)
InChIKeyRUANQJMORZSBEK-UHFFFAOYSA-N
MW266.25 g/mol
LogP3.39
Rot. Bonds2

About anthracene-1,9-dicarboxylic acid

anthracene-1,9-dicarboxylic acid (PubChem CID 13155838) has the molecular formula C16H10O4 and a molecular weight of 266.25 g/mol. Its IUPAC name is anthracene-1,9-dicarboxylic acid.

Molecular Properties

Compound Nameanthracene-1,9-dicarboxylic acid
PubChem CID13155838
Molecular FormulaC16H10O4
Molecular Weight266.25 g/mol
Exact Mass266.06
IUPAC Nameanthracene-1,9-dicarboxylic acid
SMILESO=C(O)c1cccc2cc3ccccc3c(C(=O)O)c12
InChIInChI=1S/C16H10O4/c17-15(18)12-7-3-5-10-8-9-4-1-2-6-11(9)14(13(10)12)16(19)20/h1-8H,(H,17,18)(H,19,20)
InChIKeyRUANQJMORZSBEK-UHFFFAOYSA-N
XLogP3.39
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

naphthalene-1,2,3-tricarboxylic acid;titanium
CID 158850397
naphthalene-1,2,4,8-tetracarboxylic acid
CID 21270256
9-(4-hydroxyphenyl)anthracene-1-carboxylic acid
CID 174994514
anthracene;naphthalene-1,4,5,8-tetracarboxylic acid
CID 160688323
benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
10-methylanthracene-1,9-dicarboxylic acid
CID 10707846
hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14(24),15,17,19,21-dodecaene-17-carboxylic acid
CID 87600866
2-bromo-3-chloronaphthalene-1,8-dicarboxylic acid
CID 70631094
1-hydroxynaphthalene-2,3-dicarboxylic acid
CID 22665121
2-hydroxynaphthalene-1,8-dicarboxylic acid
CID 19938987
1-(diethoxy-hydroxy-methyl-λ5-phosphanyl)anthracene-9-carboxylic acid
CID 174549917
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804

Frequently Asked Questions

What is the IUPAC name of anthracene-1,9-dicarboxylic acid?
The IUPAC name of anthracene-1,9-dicarboxylic acid (CID 13155838) is anthracene-1,9-dicarboxylic acid.
What is the SMILES notation for anthracene-1,9-dicarboxylic acid?
The canonical SMILES for anthracene-1,9-dicarboxylic acid is O=C(O)c1cccc2cc3ccccc3c(C(=O)O)c12.
What is the InChIKey of anthracene-1,9-dicarboxylic acid?
The InChIKey is RUANQJMORZSBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O4/c17-15(18)12-7-3-5-10-8-9-4-1-2-6-11(9)14(13(10)12)16(19)20/h1-8H,(H,17,18)(H,19,20).
What are the key properties of anthracene-1,9-dicarboxylic acid?
anthracene-1,9-dicarboxylic acid has a molecular weight of 266.25 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-1,9-dicarboxylic acid is sourced from PubChem (CID 13155838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).