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88040-96-4 | Acetamide, N-[[5-(1,1-dimethylethyl)-2-hydroxyphenyl]methyl]-
CAS No: 88040-96-4 Catalog No: AG004G4B MDL No:
Product Description
Catalog Number:
AG004G4B
Chemical Name:
Acetamide, N-[[5-(1,1-dimethylethyl)-2-hydroxyphenyl]methyl]-
CAS Number:
88040-96-4
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
IUPAC Name:
N-[(5-tert-butyl-2-hydroxyphenyl)methyl]acetamide
InChI:
InChI=1S/C13H19NO2/c1-9(15)14-8-10-7-11(13(2,3)4)5-6-12(10)16/h5-7,16H,8H2,1-4H3,(H,14,15)
InChI Key:
VXWOQMXQWAITIW-UHFFFAOYSA-N
SMILES:
CC(=O)NCc1cc(ccc1O)C(C)(C)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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