Structure

2-(3-Formylphenoxy)acetamide

CAS
849015-95-8
Catalog Number
ACM849015958
Category
Amines
Molecular Weight
179.17
Molecular Formula
C10H13N

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Specification

Synonyms
2-(3-formylphenoxy)acetamide, STK498757, 849015-95-8, 2-(3-Formyl-phenoxy)-acetamide, CTK5F3391, MolPort-003-835-958, BBL003273, ZINC09237520, AKOS000168617, AG-H-39909, MCULE-6203093637, AK111689, BB 0243038
IUPAC Name
2-(3-formylphenoxy)acetamide
Canonical SMILES
C1=CC(=CC(=C1)OCC(=O)N)C=O
InChI Key
FRBBODVJAIQVJL-UHFFFAOYSA-N
Boiling Point
424.855ºC at 760 mmHg
Flash Point
259.964ºC
Density
1.258g/cm³
Exact Mass
179.05800
Hazard Statements
H302-H315-H319
H-Bond Acceptor
3
H-Bond Donor
1
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the IUPAC name of the compound?

The IUPAC name of the compound is 2-(3-formylphenoxy)acetamide.

What is the molecular formula of the compound?

The molecular formula of the compound is C9H9NO3.

What is the molecular weight of the compound?

The molecular weight of the compound is 179.17 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C9H9NO3/c10-9(12)6-13-8-3-1-2-7(4-8)5-11/h1-5H,6H2,(H2,10,12).

What is the InChIKey of the compound?

The InChIKey of the compound is FRBBODVJAIQVJL-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1=CC(=CC(=C1)OCC(=O)N)C=O.

What is the CAS number of the compound?

The CAS number of the compound is 849015-95-8.

What is the XLogP3 value of the compound?

The XLogP3 value of the compound is 0.2.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 3 hydrogen bond acceptor counts.

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