ethyl (2E)-2-cyano-3-ethoxyprop-2-enoate

ethyl (2E)-2-cyano-3-ethoxyprop-2-enoate

CAS: 42466-67-1

Formula: C8H11NO3

SMILES: CCOC=C(/C#N)C(=O)OCC

IUPAC: ethyl (2E)-2-cyano-3-ethoxyprop-2-enoate

InChI: InChI=1S/C8H11NO3/c1-3-11-6-7(5-9)8(10)12-4-2/h6H,3-4H2,1-2H3/b7-6+

Composition: C (56.80%), H (6.55%), N (8.28%), O (28.37%)

Molar Mass: 169.18

Atom Count: 23

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	169.073893218
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	KTMGNAIGXYODKQ-VOTSOKGWSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.34
Topological Polar Surface Area	59.32
Polarizability	16.58
Ring Count	0
Rotatable Bond Count	5

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