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2-[hydroxy(3-nitrophenyl)methyl]prop-2-enenitrile

2-[hydroxy(3-nitrophenyl)methyl]prop-2-enenitrile

Formula: C10H8N2O3

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

IUPAC: 2-[hydroxy(3-nitrophenyl)methyl]prop-2-enenitrile

InChI: InChI=1/C10H8N2O3/c1-7(6-11)10(13)8-3-2-4-9(5-8)12(14)15/h2-5,10,13H,1H2

Composition: C (58.82%), H (3.95%), N (13.72%), O (23.51%)

Molar Mass: 204.185

Atom Count: 23

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 204.053492126
Formal Charge 0
FSP3 0.1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey QWFADYMZFDPSSG-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.01
Topological Polar Surface Area 87.16
Polarizability 19.81
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C10H8N2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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