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89724-25-4 | 4-Oxazolemethanol, 5-hexyl-2-(2-phenylethenyl)-
CAS No: 89724-25-4 Catalog No: AG0087US MDL No:
Product Description
Catalog Number:
AG0087US
Chemical Name:
4-Oxazolemethanol, 5-hexyl-2-(2-phenylethenyl)-
CAS Number:
89724-25-4
Molecular Formula:
C18H23NO2
Molecular Weight:
285.3807
IUPAC Name:
[5-hexyl-2-(2-phenylethenyl)-1,3-oxazol-4-yl]methanol
InChI:
InChI=1S/C18H23NO2/c1-2-3-4-8-11-17-16(14-20)19-18(21-17)13-12-15-9-6-5-7-10-15/h5-7,9-10,12-13,20H,2-4,8,11,14H2,1H3
InChI Key:
CMXRKVASVYRDNL-UHFFFAOYSA-N
SMILES:
CCCCCCc1oc(nc1CO)C=Cc1ccccc1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.173g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.387g/mol
Monoisotopic Mass:
285.173g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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