Phloretic acid, 3-alpha-tropanyl ester, acetate

Base Information

• Chemical Name: Phloretic acid, 3-alpha-tropanyl ester, acetate
• CAS No.: 23035-93-0
• Molecular Formula: C19H25 N O4
• Molecular Weight: 331.4061
• DSSTox Substance ID: DTXSID801157056
• Nikkaji Number: J49.294I
• Wikidata: Q76149642
• Mol file: 23035-93-0.mol

Synonyms:Phloretic acid, 3-alpha-tropanyl ester, acetate;23035-93-0;p-Hydroxyhydrocinnamic acid, 3-alpha-tropanyl ester, acetate;Hydrocinnamic acid, p-hydroxy-, 3-alpha-tropanyl ester, acetate;DTXSID801157056;LS-77207;p-Acetoxybenzenepropionic acid (1R,5S)-tropan-3alpha-yl ester;1.alpha.H,5.alpha.H-Tropan-3.alpha.-ol, p-hydroxyhydrocinnamate (ester) acetate (ester);1alphaH,5alphaH-Tropan-3alpha-ol, p-hydroxyhydrocinnamate (ester) acetate (ester)

Chemical Property of Phloretic acid, 3-alpha-tropanyl ester, acetate

Chemical Property:

• Vapor Pressure: 6.42E-08mmHg at 25°C
• Boiling Point: 439.4°C at 760 mmHg
• Flash Point: 219.5°C
• PSA: 55.84000
• Density: 1.18g/cm³
• LogP: 2.65080
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 331.17835828
• Heavy Atom Count: 24
• Complexity: 444

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=C(C=C1)CCC(=O)OC2CC3CCC(C2)N3C
• Isomeric SMILES: CC(=O)OC1=CC=C(C=C1)CCC(=O)OC2C[C@H]3CC[C@@H](C2)N3C

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