ethyl 3-cyano-2-oxo-3-phenylpropanoate

ethyl 3-cyano-2-oxo-3-phenylpropanoate

CAS: 6362-63-6

Formula: C12H11NO3

SMILES: CCOC(=O)C(=O)C(C#N)C1=CC=CC=C1

IUPAC: ethyl 3-cyano-2-oxo-3-phenylpropanoate

InChI: InChI=1/C12H11NO3/c1-2-16-12(15)11(14)10(8-13)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3

Composition: C (66.35%), H (5.10%), N (6.45%), O (22.10%)

Molar Mass: 217.224

Atom Count: 27

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	217.073893218
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	YWNRATDDUSMBPR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.5
Topological Polar Surface Area	67.16
Polarizability	22.07
Ring Count	1
Rotatable Bond Count	5

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