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101002-20-4 | 1-Hexanone, 1-[4-(decyloxy)-2-hydroxyphenyl]-, oxime
CAS No: 101002-20-4 Catalog No: AG0003GZ MDL No:
Product Description
Catalog Number:
AG0003GZ
Chemical Name:
1-Hexanone, 1-[4-(decyloxy)-2-hydroxyphenyl]-, oxime
CAS Number:
101002-20-4
Molecular Formula:
C22H37NO3
Molecular Weight:
363.5341
IUPAC Name:
5-decoxy-2-(N-hydroxy-C-pentylcarbonimidoyl)phenol
InChI:
InChI=1S/C22H37NO3/c1-3-5-7-8-9-10-11-13-17-26-19-15-16-20(22(24)18-19)21(23-25)14-12-6-4-2/h15-16,18,24-25H,3-14,17H2,1-2H3
InChI Key:
AMPIFMXOZHCRNN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1ccc(c(c1)O)C(=NO)CCCCC
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.277g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
363.542g/mol
Monoisotopic Mass:
363.277g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.9
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