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81016-42-4 | 6-Benzoxazolol, 5-hexyl-2-methyl-
CAS No: 81016-42-4 Catalog No: AG008LCC MDL No:
Product Description
Catalog Number:
AG008LCC
Chemical Name:
6-Benzoxazolol, 5-hexyl-2-methyl-
CAS Number:
81016-42-4
Molecular Formula:
C14H19NO2
Molecular Weight:
233.3062
IUPAC Name:
5-hexyl-2-methyl-1,3-benzoxazol-6-ol
InChI:
InChI=1S/C14H19NO2/c1-3-4-5-6-7-11-8-12-14(9-13(11)16)17-10(2)15-12/h8-9,16H,3-7H2,1-2H3
InChI Key:
UDYONFWNEBMVKP-UHFFFAOYSA-N
SMILES:
CCCCCCc1cc2nc(oc2cc1O)C
Properties
Complexity:
234
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:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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