9KS
- Molecular formula
- C8 H9 N O2
- Molecular weight (g/mol)
- 151.16
- Classification
- NATURAL_PRODUCT
Related PDB structures · 1
Names & identifiers
- IUPAC name
- N-(2-hydroxyphenyl)acetamide
- SMILES
- CC(=O)Nc1ccccc1O
- Isomeric SMILES
- CC(=O)Nc1ccccc1O
- InChI
- InChI=1S/C8H9NO2/c1-6(10)9-7-4-2-3-5-8(7)11/h2-5,11H,1H3,(H,9,10)
- InChIKey
- ADVGKWPZRIDURE-UHFFFAOYSA-N
- CAS
- 614-80-2
Chemical & physical properties
- HBA
- 2
- HBD
- 2
- TPSA (Ų)
- 49.33
- cLogP
- 1.35
- Chiral atoms
- 0
- Molar refractivity
- 42.41
- Rings
- 1
- Aromatic rings
- 1
- Fraction Csp³
- 0.12
- Formal charge
- 0
Calculated properties
QED0.595
NPScore-0.083321652
SAScore7.138786872