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tert-butyl (2E)-3-(pyridin-2-yl)prop-2-enoate

tert-butyl (2E)-3-(pyridin-2-yl)prop-2-enoate

CAS: 181517-75-9

Formula: C12H15NO2

SMILES: CC(C)(C)OC(=O)C=CC1=CC=CC=N1

IUPAC: tert-butyl (2E)-3-(pyridin-2-yl)prop-2-enoate

InChI: InChI=1S/C12H15NO2/c1-12(2,3)15-11(14)8-7-10-6-4-5-9-13-10/h4-9H,1-3H3/b8-7+

Composition: C (70.22%), H (7.37%), N (6.82%), O (15.59%)

Molar Mass: 205.257

Atom Count: 30

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 205.110278727
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey TWSFUBIWTCVJEH-BQYQJAHWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.03
Topological Polar Surface Area 39.19
Polarizability 22.84
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 181517-75-9 $238.14-$2,449.44$238.14$408.24$816.48$2,449.44
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