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1017-09-0

1017-09-0 | Isoxazole, 5-butyl-4,5-dihydro-3-phenyl-

CAS No: 1017-09-0 Catalog No: AG00059A MDL No:

Product Description

Catalog Number:
AG00059A
Chemical Name:
Isoxazole, 5-butyl-4,5-dihydro-3-phenyl-
CAS Number:
1017-09-0
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
IUPAC Name:
5-butyl-3-phenyl-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C13H17NO/c1-2-3-9-12-10-13(14-15-12)11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3
InChI Key:
ZEWAYBWKLIQBKM-UHFFFAOYSA-N
SMILES:
CCCCC1ON=C(C1)c1ccccc1

Properties

Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.131g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.285g/mol
Monoisotopic Mass:
203.131g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

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