Allyl Cyanoacetate

• CAS: 13361-32-5
• Catalog Number: ACM-MO-13361325
• Category: Polymer/Macromolecule; Allyl Monomers
• Molecular Weight: 125.13 g/mol
• Molecular Formula: C6H7NO2
• Synonyms: Cyanoacetic Acid Allyl Ester
• IUPAC Name: prop-2-enyl 2-cyanoacetate
• Canonical SMILES: C=CCOC(=O)CC#N
• InChI: 1S/C6H7NO2/c1-2-5-9-6(8)3-4-7/h2H,1,3,5H2
• InChI Key: WXKCRCGKCOKJEF-UHFFFAOYSA-N
• Boiling Point: 101 °C/10 mmHg
• Density: 1.065 g/mL at 25 °C (lit.)
• Appearance: Colorless to Light Orange to Yellow Clear Liquid
• Application: This product is suitable for scientific research.
• Assay: 98%
• Complexity: 154
• Condition To Avoid: Air Sensitive
• Covalently-Bonded Unit Count: 1
• EC Number: 236-423-4
• Exact Mass: 125.047678g/mol
• Features And Benefits: 1. High quality products; 2. Fast delivery; 3. Additional products can be ordered, please contact us for details
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 9
• MDL Number: MFCD00013817
• Monoisotopic Mass: 125.047678g/mol
• NACRES: NA.23
• Physical State: Liquid
• PubChem ID: 24862012
• Quality Level: 100
• Refractive Index: 1.44
• Rotatable Bond Count: 4
• Specific Gravity: 1.07
• XLogP3: 0.6

Custom Q&A

What is the molecular formula of Allyl cyanoacetate?

The molecular formula of Allyl cyanoacetate is C6H7NO2.

What is the molecular weight of Allyl cyanoacetate?

The molecular weight of Allyl cyanoacetate is 125.13 g/mol.

What is the IUPAC name of Allyl cyanoacetate?

The IUPAC name of Allyl cyanoacetate is prop-2-enyl 2-cyanoacetate.

What is the InChI of Allyl cyanoacetate?

The InChI of Allyl cyanoacetate is InChI=1S/C6H7NO2/c1-2-5-9-6(8)3-4-7/h2H,1,3,5H2.

What is the InChIKey of Allyl cyanoacetate?

The InChIKey of Allyl cyanoacetate is WXKCRCGKCOKJEF-UHFFFAOYSA-N.

What is the canonical SMILES of Allyl cyanoacetate?

The canonical SMILES of Allyl cyanoacetate is C=CCOC(=O)CC#N.

What is the CAS number of Allyl cyanoacetate?

The CAS number of Allyl cyanoacetate is 13361-32-5.

What is the European Community (EC) number of Allyl cyanoacetate?

The European Community (EC) number of Allyl cyanoacetate is 236-423-4.

What is the UNII of Allyl cyanoacetate?

The UNII of Allyl cyanoacetate is 6A64N945D8.

Is Allyl cyanoacetate a canonicalized compound?

Yes, Allyl cyanoacetate is a canonicalized compound according to PubChem.