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89644-79-1 | Acetamide, N-[5-(5-hydroxy-2-methoxyphenyl)-1,5-dimethylhexyl]-
CAS No: 89644-79-1 Catalog No: AG003VKP MDL No:
Product Description
Catalog Number:
AG003VKP
Chemical Name:
Acetamide, N-[5-(5-hydroxy-2-methoxyphenyl)-1,5-dimethylhexyl]-
CAS Number:
89644-79-1
Molecular Formula:
C17H27NO3
Molecular Weight:
293.4012
IUPAC Name:
N-[6-(5-hydroxy-2-methoxyphenyl)-6-methylheptan-2-yl]acetamide
InChI:
InChI=1S/C17H27NO3/c1-12(18-13(2)19)7-6-10-17(3,4)15-11-14(20)8-9-16(15)21-5/h8-9,11-12,20H,6-7,10H2,1-5H3,(H,18,19)
InChI Key:
JJRAFMPYSFHGQR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(CCCC(NC(=O)C)C)(C)C)O
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.199g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
293.407g/mol
Monoisotopic Mass:
293.199g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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