(3aR,3a'R,8aS,8a'S)-2,2'-(1-Methylethylidene)bis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole] - ≥98% , CAS No.189623-45-8

CAS: 189623-45-8 Cat. No.: A300090 Molecular Weight: 358.43 PubChem CID: 11222079

GRADE & PURITY ≥98%

Synonyms

(+)-(3aR,3'aR,8aS,8'aS)-2,2'-(1-methylethylidene)bis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole];(3aR,3'aR,8aS,8'aS)-2,2'-(1-Methylethylidene)bis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole]

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

(+)-(3aR, 3'aR, 8aS, 8'aS)-2, 2'-(1-methylethylidene)bis[3a, 8a-dihydro-8H-indeno[1, 2-d]oxazole];(3aR, 3'aR, 8aS, 8'aS)-2, 2'-(1-Methylethylidene)bis[3a, 8a-dihydro-8H-indeno[1, 2-d]oxazole]

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504766178
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766178
• Canonical Smiles: CC(C)(C1=NC2C(O1)CC3=CC=CC=C23)C4=NC5C(O4)CC6=CC=CC=C56
• IUPAC Name: (3aS,8bR)-2-[2-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
• InChIKey: RRHISRBSXBFRLC-VNTMZGSJSA-N
• INCHI: 1S/C23H22N2O2/c1-23(2,21-24-19-15-9-5-3-7-13(15)11-17(19)26-21)22-25-20-16-10-6-4-8-14(16)12-18(20)27-22/h3-10,17-20H,11-12H2,1-2H3/t17-,18-,19+,20+/m0/s1
• Isomeric SMILES: CC(C)(C1=N[C@H]2[C@@H](O1)CC3=CC=CC=C23)C4=N[C@H]5[C@@H](O4)CC6=CC=CC=C56
• PubChem CID: 11222079
• Molecular Weight: 358.43

Chemical and Physical Properties

• Molecular Weight: 358.400 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 358.168 Da
• Monoisotopic Mass: 358.168 Da
• Topological Polar Surface Area: 43.200 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 628.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1