4-(2-carboxyethyl)benzenediazonium;hydrogen sulfate

C9H10N2O6S — CID 24834554

IUPAC4-(2-carboxyethyl)benzenediazonium;hydrogen sulfate
SMILESN#[N+]c1ccc(CCC(=O)O)cc1.O=S(=O)([O-])O
InChIInChI=1S/C9H8N2O2.H2O4S/c10-11-8-4-1-7(2-5-8)3-6-9(12)13;1-5(2,3)4/h1-2,4-5H,3,6H2;(H2,1,2,3,4)
InChIKeyNCPZQIDZGZPVJD-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.19
Rot. Bonds3

About 4-(2-carboxyethyl)benzenediazonium;hydrogen sulfate

4-(2-carboxyethyl)benzenediazonium;hydrogen sulfate (PubChem CID 24834554) has the molecular formula C9H10N2O6S and a molecular weight of 274.25 g/mol. Its IUPAC name is 4-(2-carboxyethyl)benzenediazonium;hydrogen sulfate.

Molecular Properties

Compound Name4-(2-carboxyethyl)benzenediazonium;hydrogen sulfate
PubChem CID24834554
Molecular FormulaC9H10N2O6S
Molecular Weight274.25 g/mol
Exact Mass274.03
IUPAC Name4-(2-carboxyethyl)benzenediazonium;hydrogen sulfate
SMILESN#[N+]c1ccc(CCC(=O)O)cc1.O=S(=O)([O-])O
InChIInChI=1S/C9H8N2O2.H2O4S/c10-11-8-4-1-7(2-5-8)3-6-9(12)13;1-5(2,3)4/h1-2,4-5H,3,6H2;(H2,1,2,3,4)
InChIKeyNCPZQIDZGZPVJD-UHFFFAOYSA-N
XLogP1.19
TPSA142.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(carboxymethyl)benzenediazonium
CID 12823324
4-(2-carboxyethyl)phenolate
CID 101364536
3-[4-(2-hydroxyethylsulfonyl)phenyl]propanoic acid
CID 43140844
3-[4-(sulfamoylamino)phenyl]propanoic acid
CID 114959005
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
3-(4-propylsulfonylphenyl)propanoic acid
CID 43140837
(Z)-2-[4-(2-carboxyethyl)phenyl]-2-hydroxyethenediazonium
CID 54601213
3-(4-hydroxyphenyl)propanoic acid;methane
CID 70425679
4-[2-[4-[4-[2-(4-diazoniophenyl)ethyl]phenyl]phenyl]ethyl]benzenediazonium
CID 100984232
lanthanum;3-phenylpropanoic acid
CID 174887955
3-(4-chlorophenyl)propanoic acid;guanidine
CID 69413371
14-(4-sulfophenyl)tetradecanoic acid
CID 90747531

Frequently Asked Questions

What is the IUPAC name of 4-(2-carboxyethyl)benzenediazonium;hydrogen sulfate?
The IUPAC name of 4-(2-carboxyethyl)benzenediazonium;hydrogen sulfate (CID 24834554) is 4-(2-carboxyethyl)benzenediazonium;hydrogen sulfate.
What is the SMILES notation for 4-(2-carboxyethyl)benzenediazonium;hydrogen sulfate?
The canonical SMILES for 4-(2-carboxyethyl)benzenediazonium;hydrogen sulfate is N#[N+]c1ccc(CCC(=O)O)cc1.O=S(=O)([O-])O.
What is the InChIKey of 4-(2-carboxyethyl)benzenediazonium;hydrogen sulfate?
The InChIKey is NCPZQIDZGZPVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2.H2O4S/c10-11-8-4-1-7(2-5-8)3-6-9(12)13;1-5(2,3)4/h1-2,4-5H,3,6H2;(H2,1,2,3,4).
What are the key properties of 4-(2-carboxyethyl)benzenediazonium;hydrogen sulfate?
4-(2-carboxyethyl)benzenediazonium;hydrogen sulfate has a molecular weight of 274.25 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carboxyethyl)benzenediazonium;hydrogen sulfate is sourced from PubChem (CID 24834554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).