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101002-18-0 | Ethanone, 1-(4-butoxy-5-hexyl-2-hydroxyphenyl)-, oxime
CAS No: 101002-18-0 Catalog No: AG0003H0 MDL No:
Product Description
Catalog Number:
AG0003H0
Chemical Name:
Ethanone, 1-(4-butoxy-5-hexyl-2-hydroxyphenyl)-, oxime
CAS Number:
101002-18-0
Molecular Formula:
C18H29NO3
Molecular Weight:
307.4278
IUPAC Name:
5-butoxy-4-hexyl-2-(N-hydroxy-C-methylcarbonimidoyl)phenol
InChI:
InChI=1S/C18H29NO3/c1-4-6-8-9-10-15-12-16(14(3)19-21)17(20)13-18(15)22-11-7-5-2/h12-13,20-21H,4-11H2,1-3H3
InChI Key:
AHALITSFNLXVMY-UHFFFAOYSA-N
SMILES:
CCCCCCc1cc(c(cc1OCCCC)O)C(=NO)C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.215g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
307.434g/mol
Monoisotopic Mass:
307.215g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.7
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