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111379-53-4 | Isoxazole, 5-(3-butenyl)-4,5-dihydro-3-(triphenylmethyl)-
CAS No: 111379-53-4 Catalog No: AG0082HZ MDL No:
Product Description
Catalog Number:
AG0082HZ
Chemical Name:
Isoxazole, 5-(3-butenyl)-4,5-dihydro-3-(triphenylmethyl)-
CAS Number:
111379-53-4
Molecular Formula:
C26H25NO
Molecular Weight:
367.4828
IUPAC Name:
5-but-3-enyl-3-trityl-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C26H25NO/c1-2-3-19-24-20-25(27-28-24)26(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h2,4-18,24H,1,3,19-20H2
InChI Key:
ARWMEUYYIPZIAN-UHFFFAOYSA-N
SMILES:
C=CCCC1ON=C(C1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.194g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.492g/mol
Monoisotopic Mass:
367.194g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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