methyl indolizine-7-carboxylate

• ChemBase ID: 68210
• Molecular Formular: C10H9NO2
• Molecular Mass: 175.18396
• Monoisotopic Mass: 175.06332853
• SMILES: c1ccn2ccc(cc12)C(=O)OC
• Canonical SMILES: COC(=O)c1ccn2c(c1)ccc2
• InChI: InChI=1S/C10H9NO2/c1-13-10(12)8-4-6-11-5-2-3-9(11)7-8/h2-7H,1H3
• InChIKey: BVQIGDNWKHPLOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl indolizine-7-carboxylate
• IUPAC Traditional name: methyl indolizine-7-carboxylate
• Synonyms: Methyl indolizine-7-carboxylate

Database IDs

• CAS Number: 887602-89-3
• MDL Number: MFCD10566763
• PubChem SID: 162033942
• PubChem CID: 44558556

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6132368
• LogD (pH = 7.4): 1.6132368
• Log P: 1.6132368
• Molar Refractivity: 50.166 cm^3
• Polarizability: 19.273518 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%