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51-66-1

51-66-1

N-(4-Methoxyphenyl)acetamide

Synonyms
  • N-(4-Methoxyphenyl)acetamide
  • 51-66-1
  • 4'-Methoxyacetanilide
  • p-Acetanisidide
  • p-Acetanisidine
Molecular Formula
C9H11NO2

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description

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Molecular Formula
C9H11NO2
Iupac Name
N-(4-methoxyphenyl)acetamide
Dtp Nci Cas Number
51-66-1
Canonical Smiles
CC(=O)NC1=CC=C(C=C1)OC
StdInChi
InChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)
StdInChiKey
XVAIDCNLVLTVFM-UHFFFAOYSA-N
Appearance
Not Available
Molecular Weight
165.19
Exact Mass
165.078978594
Average Mass
165.189 Da
Monoisotopic Mass
165.078978594
Boiling Point
345.5±25.0 °C at 760 mmHg
Experimental Melting Point
130 °C
Flash Point
162.8±23.2 °C
Density
1.1±0.1 g/cm3
Vapour Pressure
0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization
59.0±3.0 kJ/mol
Refractive Index
1.558
Molar Refractivity
47.2±0.3 cm3
Polar Surface Area
38.3 Ų
Polarizability
18.7±0.5 10-24cm3
Surface Tension
39.7±3.0 dyne/cm
Molar Volume
146.5±3.0 cm3
Experimental Logp
0.635
Acd LogP
1.09
Acd LogD Ph55
1.26
Acd Bcf Ph55
5.37
Acd Koc Ph55
115.89
Acd LogD Ph74
1.26
Acd Bcf Ph74
5.37
Acd Koc Ph74
115.90
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Heavy Atom Count
12
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently Bonded Unit Count
1
H Bond Acceptors
3
H Bond Donors
1
Freely Rotating Bonds
2
Rule of 5 Violations
0
Formal Charge
0
Complexity
151
Compound is Canonicalized
Yes

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