1,2-dihydroacenaphthylene-3,6-dicarboxylic acid

C14H10O4 — CID 21412270

IUPAC1,2-dihydroacenaphthylene-3,6-dicarboxylic acid
SMILESO=C(O)c1ccc2c(C(=O)O)ccc3c2c1CC3
InChIInChI=1S/C14H10O4/c15-13(16)10-4-2-7-1-3-8-11(14(17)18)6-5-9(10)12(7)8/h2,4-6H,1,3H2,(H,15,16)(H,17,18)
InChIKeyVFUYXFAFPUJDBY-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.33
Rot. Bonds2

About 1,2-dihydroacenaphthylene-3,6-dicarboxylic acid

1,2-dihydroacenaphthylene-3,6-dicarboxylic acid (PubChem CID 21412270) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 1,2-dihydroacenaphthylene-3,6-dicarboxylic acid.

Molecular Properties

Compound Name1,2-dihydroacenaphthylene-3,6-dicarboxylic acid
PubChem CID21412270
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Name1,2-dihydroacenaphthylene-3,6-dicarboxylic acid
SMILESO=C(O)c1ccc2c(C(=O)O)ccc3c2c1CC3
InChIInChI=1S/C14H10O4/c15-13(16)10-4-2-7-1-3-8-11(14(17)18)6-5-9(10)12(7)8/h2,4-6H,1,3H2,(H,15,16)(H,17,18)
InChIKeyVFUYXFAFPUJDBY-UHFFFAOYSA-N
XLogP2.33
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroacenaphthylene-3,6-dicarboxylic acid?
The IUPAC name of 1,2-dihydroacenaphthylene-3,6-dicarboxylic acid (CID 21412270) is 1,2-dihydroacenaphthylene-3,6-dicarboxylic acid.
What is the SMILES notation for 1,2-dihydroacenaphthylene-3,6-dicarboxylic acid?
The canonical SMILES for 1,2-dihydroacenaphthylene-3,6-dicarboxylic acid is O=C(O)c1ccc2c(C(=O)O)ccc3c2c1CC3.
What is the InChIKey of 1,2-dihydroacenaphthylene-3,6-dicarboxylic acid?
The InChIKey is VFUYXFAFPUJDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4/c15-13(16)10-4-2-7-1-3-8-11(14(17)18)6-5-9(10)12(7)8/h2,4-6H,1,3H2,(H,15,16)(H,17,18).
What are the key properties of 1,2-dihydroacenaphthylene-3,6-dicarboxylic acid?
1,2-dihydroacenaphthylene-3,6-dicarboxylic acid has a molecular weight of 242.23 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroacenaphthylene-3,6-dicarboxylic acid is sourced from PubChem (CID 21412270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).