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180186-94-1 | 8H-Indeno[1,2-d]oxazole, 2,2'-methylenebis[3a,8a-dihydro-, (3aR,3'aR,8aS,8'aS)-
CAS No: 180186-94-1 Catalog No: AG0021RU MDL No:MFCD06797115
Product Description
Catalog Number:
AG0021RU
Chemical Name:
8H-Indeno[1,2-d]oxazole, 2,2'-methylenebis[3a,8a-dihydro-, (3aR,3'aR,8aS,8'aS)-
CAS Number:
180186-94-1
Molecular Formula:
C21H18N2O2
Molecular Weight:
330.3798
MDL Number:
MFCD06797115
IUPAC Name:
(3aS,8bR)-2-[[(3aS,8bR)-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
InChI:
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+/m0/s1
InChI Key:
BDHSVQLSNIGJNC-ZCLUNYJNSA-N
SMILES:
c1ccc2c(c1)[C@H]1N=C(O[C@H]1C2)CC1=N[C@H]2[C@@H](O1)Cc1c2cccc1
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
330.137g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.387g/mol
Monoisotopic Mass:
330.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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