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ethyl (2E)-3-(3-nitrophenyl)prop-2-enoate

ethyl (2E)-3-(3-nitrophenyl)prop-2-enoate

CAS: 5396-71-4

Formula: C11H11NO4

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

IUPAC: ethyl (2E)-3-(3-nitrophenyl)prop-2-enoate

InChI: InChI=1S/C11H11NO4/c1-2-16-11(13)7-6-9-4-3-5-10(8-9)12(14)15/h3-8H,2H2,1H3/b7-6+

Composition: C (59.73%), H (5.01%), N (6.33%), O (28.93%)

Molar Mass: 221.212

Atom Count: 27

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 221.068807838
Formal Charge 0
FSP3 0.18
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey QZEPRSLOWNHADS-VOTSOKGWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.9
Topological Polar Surface Area 69.44
Polarizability 21.95
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 5396-71-4 $15.13-$145.02$15.13$50.44$89.53$145.02
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