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methyl (2Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate

methyl (2Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate

Formula: C13H10N2O2

SMILES: COC(=O)C(=C/C1=CNC2=CC=CC=C12)C#N

IUPAC: methyl (2Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate

InChI: InChI=1S/C13H10N2O2/c1-17-13(16)9(7-14)6-10-8-15-12-5-3-2-4-11(10)12/h2-6,8,15H,1H3/b9-6-

Composition: C (69.02%), H (4.46%), N (12.38%), O (14.14%)

Molar Mass: 226.235

Atom Count: 27

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 226.07422757
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey JRKWEDQGUNBTEE-TWGQIWQCSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.97
Topological Polar Surface Area 65.88
Polarizability 25.1
Ring Count 2
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C13H10N2O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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