CAS
53327-10-9 Purity
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53327-10-9 Purity
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4-NITROPHENYLACETONE
CAS
5332-96-7
Catalog Number
ACM5332967
Category
Other Products
Molecular Weight
179.17
Molecular Formula
C9H9NO3
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Specification
Synonyms
Methyl 4-nitrobenzyl ketone
IUPAC Name
1-(4-Nitrophenyl)propan-2-one
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
Density
1.212±0.06 g/cm³
Exact Mass
179.058243149
H-Bond Acceptor
3
H-Bond Donor
0
Monoisotopic Mass
179.058243149
Safety Description
S22-S24/25
Storage Conditions
Dry place,Room Temperature
Topological Polar Surface Area
62.9 Ų
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