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ethyl 2-(2-cyanooxan-2-yl)acetate

ethyl 2-(2-cyanooxan-2-yl)acetate

CAS: 119873-49-3

Formula: C10H15NO3

SMILES: CCOC(=O)CC1(CCCCO1)C#N

IUPAC: ethyl 2-(2-cyanooxan-2-yl)acetate

InChI: InChI=1/C10H15NO3/c1-2-13-9(12)7-10(8-11)5-3-4-6-14-10/h2-7H2,1H3

Composition: C (60.90%), H (7.67%), N (7.10%), O (24.34%)

Molar Mass: 197.234

Atom Count: 29

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 197.105193347
Formal Charge 0
FSP3 0.8
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey YCNHVRKNKTZLDU-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.23
Topological Polar Surface Area 59.32
Polarizability 19.77
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 119873-49-3 $207.00-$5,612.00$207.00$299.00$483.00$851.00$1,587.00$5,612.00
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