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ethyl 2-cyano-3-(4-nitrophenyl)prop-2-enoate

ethyl 2-cyano-3-(4-nitrophenyl)prop-2-enoate

CAS: 2017-89-2

Formula: C12H10N2O4

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

IUPAC: ethyl 2-cyano-3-(4-nitrophenyl)prop-2-enoate

InChI: InChI=1S/C12H10N2O4/c1-2-18-12(15)10(8-13)7-9-3-5-11(6-4-9)14(16)17/h3-7H,2H2,1H3

Composition: C (58.54%), H (4.09%), N (11.38%), O (25.99%)

Molar Mass: 246.222

Atom Count: 28

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 246.06405681
Formal Charge 0
FSP3 0.17
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey YVACJZRCOWZWPY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.95
Topological Polar Surface Area 93.23
Polarizability 23.67
Ring Count 1
Rotatable Bond Count 5

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 2017-89-2 $51.35-$120.18$51.35$63.37$75.38$86.31$120.18
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