(3S,4R)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid

Base Information

• Chemical Name: (3S,4R)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
• CAS No.: 1049980-06-4
• Molecular Formula: C13H17NO4
• Molecular Weight: 251.28
• DSSTox Substance ID: DTXSID00376090
• Mol file: 1049980-06-4.mol

Synonyms:(3S,4R)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid;1049980-06-4;3-Pyrrolidinecarboxylicacid, 4-(2,3-dimethoxyphenyl)-, (3S,4R)-;SCHEMBL1817386;DTXSID00376090;AKOS025401584;AC-22410

Chemical Property of (3S,4R)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid

Chemical Property:

• Boiling Point: 411.9 °C at 760 mmHg
• Flash Point: 202.9 °C
• PSA: 67.79000
• Density: 1.201g/cm³
• LogP: 1.42020
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 251.11575802
• Heavy Atom Count: 18
• Complexity: 297

Purity/Quality:

97% ^*data from raw suppliers

(3S,4R)-4-(2,3-Dimethoxyphenyl)pyrrolidine-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1OC)C2CNCC2C(=O)O
• Isomeric SMILES: COC1=CC=CC(=C1OC)[C@@H]2CNC[C@H]2C(=O)O

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