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74604-12-9 | Benzaldehyde, 2-hydroxy-5-octyl-, oxime
CAS No: 74604-12-9 Catalog No: AG005W17 MDL No:
Product Description
Catalog Number:
AG005W17
Chemical Name:
Benzaldehyde, 2-hydroxy-5-octyl-, oxime
CAS Number:
74604-12-9
Molecular Formula:
C15H23NO2
Molecular Weight:
249.3486
IUPAC Name:
2-(hydroxyiminomethyl)-4-octylphenol
InChI:
InChI=1S/C15H23NO2/c1-2-3-4-5-6-7-8-13-9-10-15(17)14(11-13)12-16-18/h9-12,17-18H,2-8H2,1H3
InChI Key:
QSWRBFIQTJUYGA-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc(c(c1)C=NO)O
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.173g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.354g/mol
Monoisotopic Mass:
249.173g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.3
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