CAS 621-87-4 | 1-Phenoxypropan-2-one | CAS Number 621-87-4

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621-87-4 | 1-Phenoxypropan-2-one

CAS No: 621-87-4 Catalog No: AG003TOG MDL No:MFCD00008767

Product Description

Catalog Number:

AG003TOG

Chemical Name:

1-Phenoxypropan-2-one

CAS Number:

621-87-4

Molecular Formula:

C9H10O2

Molecular Weight:

150.1745

MDL Number:

MFCD00008767

IUPAC Name:

1-phenoxypropan-2-one

InChI:

InChI=1S/C9H10O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6H,7H2,1H3

InChI Key:

QWAVNXZAQASOML-UHFFFAOYSA-N

SMILES:

CC(=O)COc1ccccc1

EC Number:

210-712-5

NSC Number:

1876

Properties

Complexity:

126

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

150.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

150.177g/mol

Monoisotopic Mass:

150.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Chemical composition and insecticidal activity of the essential oil of Amethystea caerulea L.	Natural product research 20120101
Aminodifluorosulfinium salts: selective fluorination reagents with enhanced thermal stability and ease of handling.	The Journal of organic chemistry 20100521
Calixpyrrole chemistry: a study of a new ditopic receptor highlighting some fundamental concepts in assessing thermodynamic selectivity.	Physical chemistry chemical physics : PCCP 20100121