Agn-PC-00houe

Base Information

• Chemical Name: Agn-PC-00houe
• CAS No.: 65877-98-7
• Molecular Formula: C10H13 Br O4
• Molecular Weight: 277.11
• DSSTox Substance ID: DTXSID90369077

Synonyms:AGN-PC-00HOUE;65877-98-7;DTXSID90369077;PSQMIZSQDUTASM-UHFFFAOYSA-N;exo-2-Bromo-5,5-ethylenedioxybicyclo[2.2.1]heptane-7-syn-carboxylic acid;5-BROMOSPIRO[BICYCLO[2.2.1]HEPTANE-2,2'-[1,3]DIOXOLANE]-7-CARBOXYLIC ACID

Chemical Property of Agn-PC-00houe

Chemical Property:

• Melting Point: 152-155oC
• Boiling Point: 419.2±45.0 °C(Predicted)
• PKA: 4.22±0.40(Predicted)
• PSA: 55.76000
• Density: 1.71±0.1 g/cm3(Predicted)
• LogP: 1.23360
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 275.99972
• Heavy Atom Count: 15
• Complexity: 300

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2(O1)CC3C(CC2C3C(=O)O)Br

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