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4-nitrophenyl 2-oxopropanoate

4-nitrophenyl 2-oxopropanoate

CAS: 38335-24-9

Formula: C9H7NO5

SMILES: CC(=O)C(=O)OC1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 4-nitrophenyl 2-oxopropanoate

InChI: InChI=1S/C9H7NO5/c1-6(11)9(12)15-8-4-2-7(3-5-8)10(13)14/h2-5H,1H3

Composition: C (51.68%), H (3.37%), N (6.70%), O (38.25%)

Molar Mass: 209.157

Atom Count: 22

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 209.032422329
Formal Charge 0
FSP3 0.11
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey GESXRWPLNGTJEW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.86
Topological Polar Surface Area 86.51
Polarizability 18.68
Ring Count 1
Rotatable Bond Count 4

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