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ethyl isoquinoline-6-carboxylate

ethyl isoquinoline-6-carboxylate

CAS: 188861-58-7

Formula: C12H11NO2

SMILES: CCOC(=O)C1=CC2=CC=NC=C2C=C1

IUPAC: ethyl isoquinoline-6-carboxylate

InChI: InChI=1S/C12H11NO2/c1-2-15-12(14)10-3-4-11-8-13-6-5-9(11)7-10/h3-8H,2H2,1H3

Composition: C (71.63%), H (5.51%), N (6.96%), O (15.90%)

Molar Mass: 201.225

Atom Count: 26

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 201.078978598
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey XZSXCFWWZHTJMU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.13
Topological Polar Surface Area 39.19
Polarizability 23.22
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 188861-58-7 $85.28-$906.97$85.28$142.43$285.31$906.97
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