4-NITROPHENYLACETONE

Catalog	ACM5332967
CAS	5332-96-7
Structure
Synonyms	Methyl 4-nitrobenzyl ketone
IUPAC Name	1-(4-Nitrophenyl)propan-2-one
Molecular Weight	179.17
Molecular Formula	C9H9NO3
Canonical SMILES	CC(=O)CC1=CC=C(C=C1)[N+](=O)[O-]
InChI	InChI=1S/C9H9NO3/c1-7(11)6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3
InChI Key	GEWWCWZGHNIUBW-UHFFFAOYSA-N
Boiling Point	158-160 °C
Melting Point	63-64 °C
Flash Point	146.4ºC
Purity	95%+
Density	1.212±0.06 g/cm³
Exact Mass	179.058243149
Monoisotopic Mass	179.058243149
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	62.9 Ų