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101002-15-7 | Ethanone, 1-[2-hydroxy-4-(pentyloxy)phenyl]-, oxime
CAS No: 101002-15-7 Catalog No: AG0003H1 MDL No:
Product Description
Catalog Number:
AG0003H1
Chemical Name:
Ethanone, 1-[2-hydroxy-4-(pentyloxy)phenyl]-, oxime
CAS Number:
101002-15-7
Molecular Formula:
C13H19NO3
Molecular Weight:
237.2949
IUPAC Name:
2-(N-hydroxy-C-methylcarbonimidoyl)-5-pentoxyphenol
InChI:
InChI=1S/C13H19NO3/c1-3-4-5-8-17-11-6-7-12(10(2)14-16)13(15)9-11/h6-7,9,15-16H,3-5,8H2,1-2H3
InChI Key:
PILRFHODWVJOMJ-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(c(c1)O)C(=NO)C
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:
3.5
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