1-(Malonylamino)cyclopropanecarboxylic acid

Base Information

• Chemical Name: 1-(Malonylamino)cyclopropanecarboxylic acid
• CAS No.: 80550-27-2
• Molecular Formula: C7H9NO5
• Molecular Weight: 187.1501
• UNII: J3JQP449QR
• DSSTox Substance ID: DTXSID001001312
• Nikkaji Number: J721.276C
• Wikidata: Q82995205
• Metabolomics Workbench ID: 45044
• Mol file: 80550-27-2.mol

Synonyms:1-(malonylamino)cyclopropane-1-carboxylic cid;MACPCA

Chemical Property of 1-(Malonylamino)cyclopropanecarboxylic acid

Chemical Property:

• Vapor Pressure: 5.15E-15mmHg at 25°C
• Boiling Point: 581.1°Cat760mmHg
• PKA: 3.75±0.20(Predicted)
• Flash Point: 305.3°C
• PSA: 30.93000
• Density: 1.55g/cm³
• LogP: 1.51610
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 187.04807239
• Heavy Atom Count: 13
• Complexity: 268

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1(C(=O)O)NC(=O)CC(=O)O

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