5-Cyanoisophthalic acid

• CAS: 23341-13-1
• Catalog Number: ACM23341131
• Category: Renewable & Alternative Energy
• Molecular Weight: 191.1403
• Molecular Formula: C₉H₅NO₄
• Synonyms: 5-cyanoisophthalic acid;5-Cyano-1,3-benzenedicarboxylic acid;1,3-Benzenedicarboxylic acid, 5-cyano-;Einecs 245-594-4;H2CyIPT;5-Cyano-1,3-benzenedicarboxylic acid >=95%
• IUPAC Name: 5-cyanobenzene-1,3-dicarboxylic acid
• SMILES: C1=C(C=C(C=C1C(=O)O)C(=O)O)C#N
• InChI Key: YKADUTAIRWMMFI-UHFFFAOYSA-N
• Boiling Point: 454.6ºC at 760 mmHg
• Flash Point: 228.7ºC
• Density: 1.57g/cm³
• EC Number: 245-594-4
• Exact Mass: 191.02200
• H-Bond Acceptor: 5
• H-Bond Donor: 2

Custom Q&A

What is the molecular formula of 5-Cyanoisophthalic acid?

The molecular formula of 5-Cyanoisophthalic acid is C9H5NO4.

What is the molecular weight of 5-Cyanoisophthalic acid?

The molecular weight of 5-Cyanoisophthalic acid is 191.14 g/mol.

What is the IUPAC name of 5-Cyanoisophthalic acid?

The IUPAC name of 5-Cyanoisophthalic acid is 5-cyanobenzene-1,3-dicarboxylic acid.

What is the InChI of 5-Cyanoisophthalic acid?

The InChI of 5-Cyanoisophthalic acid is InChI=1S/C9H5NO4/c10-4-5-1-6(8(11)12)3-7(2-5)9(13)14/h1-3H,(H,11,12)(H,13,14).

What is the InChIKey of 5-Cyanoisophthalic acid?

The InChIKey of 5-Cyanoisophthalic acid is YKADUTAIRWMMFI-UHFFFAOYSA-N.

What is the Canonical SMILES of 5-Cyanoisophthalic acid?

The Canonical SMILES of 5-Cyanoisophthalic acid is C1=C(C=C(C=C1C(=O)O)C(=O)O)C#N.

What is the CAS number of 5-Cyanoisophthalic acid?

The CAS number of 5-Cyanoisophthalic acid is 23341-13-1.

What is the European Community (EC) number of 5-Cyanoisophthalic acid?

The European Community (EC) number of 5-Cyanoisophthalic acid is 245-594-4.

What is the DSSTox Substance ID of 5-Cyanoisophthalic acid?

The DSSTox Substance ID of 5-Cyanoisophthalic acid is DTXSID5066879.

Is the compound canonicalized?

Yes, the compound is canonicalized.