N-(3-formylphenyl)acetamide

HCID 256849CAS 59755-25-8

Substructure search Find similar structures

Basic information

Standard SMILES: CC(=O)Nc1cccc(C=O)c1
InChIKey: KBKWZUVMKBNTFP-UHFFFAOYSA-N
Molecular formula: C9H9NO2
Average molar mass: 163.17 g/mol
Monoisotopic mass: 163.06332853

Names & identifiers

Preferred name: N-(3-formylphenyl)acetamide
IUPAC: N-(3-formylphenyl)acetamide
English name: N-(3-Formylphenyl)acetamide
Molecular formula: C9H9NO2
Molecular weight: 163.17

Names & synonyms

n-(3-formylphenyl)acetamideDTXSID60292641RefChem:826594DTXCID90243782816-982-659755-25-83-acetamidobenzaldehydeMFCD00066303N-(3-Formyl-phenyl)-acetamideAcetamide, N-(3-formylphenyl)-3-(Acetylamino)benzaldehydeNSC84314

Show more names

m-acetamidobenzaldehydem-Acetylamidobenzaldehyd3-acetylaminobenzaldehydeSCHEMBL527866N-(3-formylphenyl)-AcetamideSCHEMBL1040883KBKWZUVMKBNTFP-UHFFFAOYSA-NNSC-84314

Database identifiers

CAS: 59755-25-8
PubChem CID: 256849
DTXSID: DTXSID60292641
EC Number: 816-982-6
Nikkaji: J90.061C

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 46.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 179

Physicochemical properties

storage temp.: 2 · 2-8°C, stored under nitrogen
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.