4-ethenylphthalic acid;sulfuric acid

C10H10O8S — CID 175295961

IUPAC4-ethenylphthalic acid;sulfuric acid
SMILESC=Cc1ccc(C(=O)O)c(C(=O)O)c1.O=S(=O)(O)O
InChIInChI=1S/C10H8O4.H2O4S/c1-2-6-3-4-7(9(11)12)8(5-6)10(13)14;1-5(2,3)4/h2-5H,1H2,(H,11,12)(H,13,14);(H2,1,2,3,4)
InChIKeyLMHBYAVUAWODKN-UHFFFAOYSA-N
MW290.25 g/mol
LogP1.07
Rot. Bonds3

About 4-ethenylphthalic acid;sulfuric acid

4-ethenylphthalic acid;sulfuric acid (PubChem CID 175295961) has the molecular formula C10H10O8S and a molecular weight of 290.25 g/mol. Its IUPAC name is 4-ethenylphthalic acid;sulfuric acid.

Molecular Properties

Compound Name4-ethenylphthalic acid;sulfuric acid
PubChem CID175295961
Molecular FormulaC10H10O8S
Molecular Weight290.25 g/mol
Exact Mass290.01
IUPAC Name4-ethenylphthalic acid;sulfuric acid
SMILESC=Cc1ccc(C(=O)O)c(C(=O)O)c1.O=S(=O)(O)O
InChIInChI=1S/C10H8O4.H2O4S/c1-2-6-3-4-7(9(11)12)8(5-6)10(13)14;1-5(2,3)4/h2-5H,1H2,(H,11,12)(H,13,14);(H2,1,2,3,4)
InChIKeyLMHBYAVUAWODKN-UHFFFAOYSA-N
XLogP1.07
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-ethenylphthalic acid
CID 90982643
2-[(1Z)-1-chlorobuta-1,3-dienyl]-4-ethenylbenzoic acid
CID 141165110
2-[(2-carboxy-5-ethenylphenyl)methyl]-4-ethenylbenzoic acid
CID 54324014
4-ethenyl-2-methylbenzoic acid;oxirane
CID 175584367
4-sulfophthalic acid;trihydrochloride
CID 173375578
benzene-1,2,4,5-tetracarboxylic acid;ethene
CID 69404870
4-ethenyl-2-octadecylbenzoic acid
CID 67535409
3-[(4-ethenylphenyl)diazenyl]-2-hydroxy-5-sulfobenzoic acid
CID 136670891
CID 175172345
CID 175172345
4-[4-(3,4-dicarboxyphenyl)sulfonylphenyl]sulfonylphthalic acid
CID 13050202
4-ethenylbenzenesulfonic acid;methanol
CID 172742090
1-(5-ethenyl-2-methylphenyl)ethanone
CID 143958265

Frequently Asked Questions

What is the IUPAC name of 4-ethenylphthalic acid;sulfuric acid?
The IUPAC name of 4-ethenylphthalic acid;sulfuric acid (CID 175295961) is 4-ethenylphthalic acid;sulfuric acid.
What is the SMILES notation for 4-ethenylphthalic acid;sulfuric acid?
The canonical SMILES for 4-ethenylphthalic acid;sulfuric acid is C=Cc1ccc(C(=O)O)c(C(=O)O)c1.O=S(=O)(O)O.
What is the InChIKey of 4-ethenylphthalic acid;sulfuric acid?
The InChIKey is LMHBYAVUAWODKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4.H2O4S/c1-2-6-3-4-7(9(11)12)8(5-6)10(13)14;1-5(2,3)4/h2-5H,1H2,(H,11,12)(H,13,14);(H2,1,2,3,4).
What are the key properties of 4-ethenylphthalic acid;sulfuric acid?
4-ethenylphthalic acid;sulfuric acid has a molecular weight of 290.25 g/mol, XLogP of 1.07, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylphthalic acid;sulfuric acid is sourced from PubChem (CID 175295961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).