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646035-31-6 | Phenol, 4-(4,5-dihydro-5-pentyl-3-isoxazolyl)-
CAS No: 646035-31-6 Catalog No: AG006T5Q MDL No:
Product Description
Catalog Number:
AG006T5Q
Chemical Name:
Phenol, 4-(4,5-dihydro-5-pentyl-3-isoxazolyl)-
CAS Number:
646035-31-6
Molecular Formula:
C14H19NO2
Molecular Weight:
233.3062
IUPAC Name:
4-(5-pentyl-4,5-dihydro-1,2-oxazol-3-yl)phenol
InChI:
InChI=1S/C14H19NO2/c1-2-3-4-5-13-10-14(15-17-13)11-6-8-12(16)9-7-11/h6-9,13,16H,2-5,10H2,1H3
InChI Key:
SQIGZPJQSVVASP-UHFFFAOYSA-N
SMILES:
CCCCCC1ON=C(C1)c1ccc(cc1)O
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.311g/mol
Monoisotopic Mass:
233.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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