(+/-)-Anti-7-Methylbenz(a)Anthracene 3,4-Dihydrodiol 1,2-Epoxide
[CAS# 133645-02-0]

Identification

• Name: (+/-)-Anti-7-Methylbenz(a)Anthracene 3,4-Dihydrodiol 1,2-Epoxide
• Synonyms: (+/-)-Anti-7-Methylbenz(A)Anthracene-3,4-Dihydrodiol-1,2-Epoxide; 7-Methylbenz(A)Anthracene 3,4-Dihydrodiol 1,2-Epoxide; Benzo(6,7)Phenanthro(3,4-B)Oxirene-2,3-Diol, 1A-2,3,11C-Tetrahydro-6-Methyl-, (1Aalpha,2Beta,3Alpha,11Calpha)-(+-)-
• Molecular Formula: C₁₉H₁₆O₃
• Molecular Weight: 292.33
• CAS Registry Number: 133645-02-0
• SMILES: [C@@H]4(C3=C(C2=CC1=CC=CC=C1C(=C2C=C3)C)[C@H]5[C@@H]([C@@H]4O)O5)O
• InChI: 1S/C19H16O3/c1-9-11-5-3-2-4-10(11)8-14-12(9)6-7-13-15(14)18-19(22-18)17(21)16(13)20/h2-8,16-21H,1H3/t16-,17+,18-,19+/m0/s1
• InChIKey: CTCQBMGFYNPCAS-ZSYWTGECSA-N

Properties

• Density: 1.429g/cm³ (Cal.)
• Boiling point: 573.381°C at 760 mmHg (Cal.)
• Flash point: 300.57°C (Cal.)