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646035-30-5 | Isoxazole, 4,5-dihydro-5-pentyl-3-[4-(phenylmethoxy)phenyl]-
CAS No: 646035-30-5 Catalog No: AG006T5R MDL No:
Product Description
Catalog Number:
AG006T5R
Chemical Name:
Isoxazole, 4,5-dihydro-5-pentyl-3-[4-(phenylmethoxy)phenyl]-
CAS Number:
646035-30-5
Molecular Formula:
C21H25NO2
Molecular Weight:
323.4287
IUPAC Name:
5-pentyl-3-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C21H25NO2/c1-2-3-5-10-20-15-21(22-24-20)18-11-13-19(14-12-18)23-16-17-8-6-4-7-9-17/h4,6-9,11-14,20H,2-3,5,10,15-16H2,1H3
InChI Key:
CYTKVRIKUDTSFM-UHFFFAOYSA-N
SMILES:
CCCCCC1ON=C(C1)c1ccc(cc1)OCc1ccccc1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.189g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.436g/mol
Monoisotopic Mass:
323.189g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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