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3- (2-Hydroxyphenyl) propanamide

CAT: 0127-OR93943-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR93943-01Size:250 mg
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CAS Number
22367-76-6
MDL Number
MFCD03788457
Purity
98%
Smiles
NC(CCC1=CC=CC=C1O)=O

Chemical Information

3-(2-Hydroxyphenyl)propanamide
CAS Number22367-76-6
PubChem CID31159
IUPAC Name3-(2-hydroxyphenyl)propanamide
Molecular FormulaC9H11NO2
Molecular Weight165.19
XLogP0.8
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity159
SMILES
C1=CC=C(C(=C1)CCC(=O)N)O
InChI
InChI=1S/C9H11NO2/c10-9(12)6-5-7-3-1-2-4-8(7)11/h1-4,11H,5-6H2,(H2,10,12)
InChIKey
LDJLLJYEHWTXLF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-Hydroxyphenyl)propanamide
CAS: 22367-76-6
CID: 31159
Formula: C9H11NO2
MW: 165.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight165.19
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass165.078978594
Monoisotopic Mass165.078978594
Topological Polar Surface Area63.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity159
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes