anthracen-9-ylmethyl prop-2-enoate

• ChemBase ID: 153048
• Molecular Formular: C18H14O2
• Molecular Mass: 262.30256
• Monoisotopic Mass: 262.09937969
• SMILES: C=CC(=O)OCc1c2ccccc2cc2c1cccc2
• Canonical SMILES: C=CC(=O)OCc1c2ccccc2cc2c1cccc2
• InChI: InChI=1S/C18H14O2/c1-2-18(19)20-12-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h2-11H,1,12H2
• InChIKey: IPLSGZRALKDNRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: anthracen-9-ylmethyl prop-2-enoate
• IUPAC Traditional name: anthracen-9-ylmethyl prop-2-enoate
• Synonyms: 9-Anthracenylmethyl acrylate; 丙烯酸-9-蒽甲酯

Database IDs

• CAS Number: 31645-34-8
• MDL Number: MFCD04039960
• PubChem SID: 24880552; 162247188
• PubChem CID: 4065231

CALCULATED PROPERTIES

• Log P: 4.6156015
• Molar Refractivity: 79.5735 cm^3
• Polarizability: 33.404842 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.6156015
• LogD (pH = 7.4): 4.6156015

PROPERTIES

Physical Property

• Absorption Wavelength: λmax 251 nm

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C18H14O2

DETAILS

Sigma Aldrich - 577111

General description
Fluorescent monomer
Packaging
1 g in glass bottle