N-(3-hydroxyphenyl)...

N-(3-hydroxyphenyl)hexanamide(CAS No. 55791-90-7)

N-(3-hydroxyphenyl)hexanamide(CAS No. 55791-90-7)

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HEXANANILIDE, 3-HYDROXY- 55791-90-7 98%

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Details:

【Name】
N-(3-hydroxyphenyl)hexanamide
【Iupac name】
N-(3-hydroxyphenyl)hexanamide
【CAS Registry number】
55791-90-7
【Synonyms】
N-(3-hydroxyphenyl)hexanamide
【Molecular Formula】
C12H17NO2 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C12H17NO2/c1-2-3-4-8-12(15)13-10-6-5-7-11(14)9-10/h5-7,9,14H,2-4,8H2,1H3,(H,13,15)
【Canonical SMILES】
CCCCCC(=O)NC1=CC(=CC=C1)O
【MOL File】
55791-90-7.mol
Chemical and Physical Properties
【Density】
1.108g/cm3
【Boiling Point】
407.9°C at 760 mmHg
【Refractive Index】
1.565
【Flash Point】
200.5°C
【Computed Properties】
Molecular Weight:207.26888 [g/mol]
Molecular Formula:C12H17NO2
XLogP3:2.9
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:5
Tautomer Count:22
Exact Mass:207.125929
MonoIsotopic Mass:207.125929
Topological Polar Surface Area:49.3
Heavy Atom Count:15
Formal Charge:0
Complexity:194
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
Feature 3D Acceptor Count:1
Feature 3D Donor Count:2
Feature 3D Hydrophobe Count:2
Feature 3D Ring Count:1
Effective Rotor Count:6
Conformer Sampling RMSD:0.6
CID Conformer Count:147

 

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