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914784-11-5 | Phenol, 4-(5-pentyl-3-isoxazolyl)-
CAS No: 914784-11-5 Catalog No: AG006LYI MDL No:
Product Description
Catalog Number:
AG006LYI
Chemical Name:
Phenol, 4-(5-pentyl-3-isoxazolyl)-
CAS Number:
914784-11-5
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
IUPAC Name:
4-(5-pentyl-1,2-oxazol-3-yl)phenol
InChI:
InChI=1S/C14H17NO2/c1-2-3-4-5-13-10-14(15-17-13)11-6-8-12(16)9-7-11/h6-10,16H,2-5H2,1H3
InChI Key:
QEESNZRKQXSXPQ-UHFFFAOYSA-N
SMILES:
CCCCCc1onc(c1)c1ccc(cc1)O
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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