(-)-2,2'-Methylenebis[(3aS,8aR)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole]

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CAS
175166-49-1
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>98.0%(LC)(N)
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Catalog Number

ACM175166491-1

Product Name

(-)-2,2'-Methylenebis[(3aS,8aR)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole]

Structure

CAS

175166-49-1

Category

Heterocyclic Organic Compound

Synonyms

Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)methane

IUPAC Name

(3aR,8bS)-2-[[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]methyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole

Molecular Weight

330.38

Molecular Formula

C21H18N2O2

Canonical SMILES

C1C2C(C3=CC=CC=C31)N=C(O2)CC4=NC5C(O4)CC6=CC=CC=C56

InChI

BDHSVQLSNIGJNC-JYWFKMLOSA-N

InChI Key

InChI=1S/C21H18N2O2/c1-3-7-14-12(5-1)9-16-20(14)22-18(24-16)11-19-23-21-15-8-4-2-6-13(15)10-17(21)25-19/h1-8,16-17,20-21H,9-11H2/t16-,17-,20+,21+/m1/s1

Boiling Point

493.2±45.0 °C(Predicted)

Melting Point

224 °C

Appearance

White powder

Complexity

563

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Exact Mass

330.136827821

H-Bond Acceptor

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isomeric SMILES

C1[C@@H]2[C@H](C3=CC=CC=C31)N=C(O2)CC4=N[C@@H]5[C@H](O4)CC6=CC=CC=C56

Monoisotopic Mass

330.136827821

Rotatable Bond Count

Topological Polar Surface Area

43.2 Å²

MSDS

Download MSDS

COA

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Spec Sheet

Download Spec Sheet

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