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70659-87-9 | (2,6-di-tert-butyl-4-methylphenoxy)acetaldehyde
CAS No: 70659-87-9 Catalog No: AG0065F3 MDL No:
Product Description
Catalog Number:
AG0065F3
Chemical Name:
(2,6-di-tert-butyl-4-methylphenoxy)acetaldehyde
CAS Number:
70659-87-9
Molecular Formula:
C17H26O2
Molecular Weight:
262.3871
IUPAC Name:
N-benzyloctanamide
InChI:
InChI=1S/C15H23NO/c1-2-3-4-5-9-12-15(17)16-13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3,(H,16,17)
InChI Key:
OCSIXVSXYFNTQS-UHFFFAOYSA-N
SMILES:
O=CCOc1c(cc(cc1C(C)(C)C)C)C(C)(C)C
NSC Number:
57857
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.178g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.355g/mol
Monoisotopic Mass:
233.178g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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