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(3aS,8aR)-2-[(3aS,8aR)-3aH,8H,8aH-indeno[1,2-d][1,3]oxazol-2-yl]-3aH,8H,8aH-indeno[1,2-d][1,3]oxazole

(3aS,8aR)-2-[(3aS,8aR)-3aH,8H,8aH-indeno[1,2-d][1,3]oxazol-2-yl]-3aH,8H,8aH-indeno[1,2-d][1,3]oxazole

CAS: 1227512-69-7

Formula: C20H16N2O2

SMILES: C1[C@H]2OC(=N[C@H]2C2=CC=CC=C12)C1=N[C@@H]2[C@@H](CC3=C2C=CC=C3)O1

IUPAC: (3aS,8aR)-2-[(3aS,8aR)-3aH,8H,8aH-indeno[1,2-d][1,3]oxazol-2-yl]-3aH,8H,8aH-indeno[1,2-d][1,3]oxazole

InChI: InChI=1S/C20H16N2O2/c1-3-7-13-11(5-1)9-15-17(13)21-19(23-15)20-22-18-14-8-4-2-6-12(14)10-16(18)24-20/h1-8,15-18H,9-10H2/t15-,16-,17+,18+/m1/s1

Composition: C (75.93%), H (5.10%), N (8.86%), O (10.11%)

Molar Mass: 316.36

Atom Count: 40

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 4
Exact Mass 316.121177763
Formal Charge 0
FSP3 0.3
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey SBYJTMJEUZSVQN-BDXSIMOUSA-N
Lipinski's Rule of Five 1
Molar Refractivity 89.01
Topological Polar Surface Area 43.18
Polarizability 34.41
Ring Count 6
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
99% <5 Days 1227512-69-7 $131.14-$1,039.06$131.14$273.64$1,039.06
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