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161140-14-3 | 1-Propanone, 1-(4-butoxy-2-hydroxyphenyl)-, oxime
CAS No: 161140-14-3 Catalog No: AG001S7J MDL No:
Product Description
Catalog Number:
AG001S7J
Chemical Name:
1-Propanone, 1-(4-butoxy-2-hydroxyphenyl)-, oxime
CAS Number:
161140-14-3
Molecular Formula:
C13H19NO3
Molecular Weight:
237.2949
IUPAC Name:
5-butoxy-2-(C-ethyl-N-hydroxycarbonimidoyl)phenol
InChI:
InChI=1S/C13H19NO3/c1-3-5-8-17-10-6-7-11(13(15)9-10)12(4-2)14-16/h6-7,9,15-16H,3-5,8H2,1-2H3
InChI Key:
GNGNGFZQDFMYLP-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(c(c1)O)C(=NO)CC
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.299g/mol
Monoisotopic Mass:
237.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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