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1-(4-nitrophenyl)propan-2-one

1-(4-nitrophenyl)propan-2-one

CAS: 5332-96-7

Formula: C9H9NO3

SMILES: CC(=O)CC1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 1-(4-nitrophenyl)propan-2-one

InChI: InChI=1S/C9H9NO3/c1-7(11)6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3

Composition: C (60.33%), H (5.06%), N (7.82%), O (26.79%)

Molar Mass: 179.175

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 179.058243154
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey GEWWCWZGHNIUBW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.24
Topological Polar Surface Area 60.21
Polarizability 17.81
Ring Count 1
Rotatable Bond Count 3

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