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26718-19-4

26718-19-4 | 4H-Indeno[2,1-d]isoxazole,3a,8b-dihydro-3-(4-methylphenyl)-

CAS No: 26718-19-4 Catalog No: AG007KT5 MDL No:

Product Description

Catalog Number:
AG007KT5
Chemical Name:
4H-Indeno[2,1-d]isoxazole,3a,8b-dihydro-3-(4-methylphenyl)-
CAS Number:
26718-19-4
Molecular Formula:
C17H15NO
Molecular Weight:
249.3071
IUPAC Name:
3-(4-methylphenyl)-4,8b-dihydro-3aH-indeno[2,1-d][1,2]oxazole
InChI:
InChI=1S/C17H15NO/c1-11-6-8-12(9-7-11)16-15-10-13-4-2-3-5-14(13)17(15)19-18-16/h2-9,15,17H,10H2,1H3
InChI Key:
CTOXHRZUUTVAFF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1=NOC2C1Cc1c2cccc1

Properties

Complexity:
370  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.115g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.313g/mol
Monoisotopic Mass:
249.115g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

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