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methyl 3-cyano-2-oxo-3-(thiophen-2-yl)propanoate

methyl 3-cyano-2-oxo-3-(thiophen-2-yl)propanoate

Formula: C9H7NO3S

SMILES: COC(=O)C(=O)C(C#N)C1=CC=CS1

IUPAC: methyl 3-cyano-2-oxo-3-(thiophen-2-yl)propanoate

InChI: InChI=1/C9H7NO3S/c1-13-9(12)8(11)6(5-10)7-3-2-4-14-7/h2-4,6H,1H3

Composition: C (51.67%), H (3.37%), N (6.69%), O (22.94%), S (15.32%)

Molar Mass: 209.22

Atom Count: 21

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 209.014664263
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey DSTQAOALXQBPJB-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.64
Topological Polar Surface Area 67.16
Polarizability 19
Ring Count 1
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Kinentia Biosciences LLC
Purity LeadTime Formula PacketSize UnitPrice
95% <14 Days C9H7NO3S $221.13$221.13
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