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81928-78-1 | Acetamide, N-[4-(3-methylbutoxy)phenyl]-
CAS No: 81928-78-1 Catalog No: AG004ZUE MDL No:
Product Description
Catalog Number:
AG004ZUE
Chemical Name:
Acetamide, N-[4-(3-methylbutoxy)phenyl]-
CAS Number:
81928-78-1
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
IUPAC Name:
N-[4-(3-methylbutoxy)phenyl]acetamide
InChI:
InChI=1S/C13H19NO2/c1-10(2)8-9-16-13-6-4-12(5-7-13)14-11(3)15/h4-7,10H,8-9H2,1-3H3,(H,14,15)
InChI Key:
HTFRCOOBBWHOEH-UHFFFAOYSA-N
SMILES:
CC(CCOc1ccc(cc1)NC(=O)C)C
Properties
Complexity:
208
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:
1
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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