1,8-diformylnaphthalene-2-carboxylic acid

C13H8O4 — CID 87507167

IUPAC1,8-diformylnaphthalene-2-carboxylic acid
SMILESO=Cc1cccc2ccc(C(=O)O)c(C=O)c12
InChIInChI=1S/C13H8O4/c14-6-9-3-1-2-8-4-5-10(13(16)17)11(7-15)12(8)9/h1-7H,(H,16,17)
InChIKeyRJOGSLZSSVBEES-UHFFFAOYSA-N
MW228.20 g/mol
LogP2.16
Rot. Bonds3

About 1,8-diformylnaphthalene-2-carboxylic acid

1,8-diformylnaphthalene-2-carboxylic acid (PubChem CID 87507167) has the molecular formula C13H8O4 and a molecular weight of 228.20 g/mol. Its IUPAC name is 1,8-diformylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1,8-diformylnaphthalene-2-carboxylic acid
PubChem CID87507167
Molecular FormulaC13H8O4
Molecular Weight228.20 g/mol
Exact Mass228.04
IUPAC Name1,8-diformylnaphthalene-2-carboxylic acid
SMILESO=Cc1cccc2ccc(C(=O)O)c(C=O)c12
InChIInChI=1S/C13H8O4/c14-6-9-3-1-2-8-4-5-10(13(16)17)11(7-15)12(8)9/h1-7H,(H,16,17)
InChIKeyRJOGSLZSSVBEES-UHFFFAOYSA-N
XLogP2.16
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-acetylnaphthalene-1-carbaldehyde
CID 14613312
benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
10-formyl-2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-8-carboxylic acid
CID 143137573
2-formyl-3-(2-formylbenzoyl)oxybenzoic acid
CID 54082048
aluminum tris(2-carboxy-6-formylphenolate)
CID 173060925
3-formyl-2-iodobenzoic acid
CID 71422161
7-hydroxy-8-methylnaphthalene-1-carbaldehyde
CID 176847808
naphthalene-1,8-dicarboxylic acid;silver
CID 91865760
8-bromonaphthalene-1-carbaldehyde
CID 13067255
1-formylnaphthalene-2,7-dicarboxylic acid
CID 54516267
sodium;hydride;naphthalene-1,8-dicarboxylic acid
CID 175149963
4-formyl-5,8-bis(phenylcarbamoyl)naphthalene-1-carboxylic acid
CID 88871085

Frequently Asked Questions

What is the IUPAC name of 1,8-diformylnaphthalene-2-carboxylic acid?
The IUPAC name of 1,8-diformylnaphthalene-2-carboxylic acid (CID 87507167) is 1,8-diformylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 1,8-diformylnaphthalene-2-carboxylic acid?
The canonical SMILES for 1,8-diformylnaphthalene-2-carboxylic acid is O=Cc1cccc2ccc(C(=O)O)c(C=O)c12.
What is the InChIKey of 1,8-diformylnaphthalene-2-carboxylic acid?
The InChIKey is RJOGSLZSSVBEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O4/c14-6-9-3-1-2-8-4-5-10(13(16)17)11(7-15)12(8)9/h1-7H,(H,16,17).
What are the key properties of 1,8-diformylnaphthalene-2-carboxylic acid?
1,8-diformylnaphthalene-2-carboxylic acid has a molecular weight of 228.20 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-diformylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 87507167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).