ethyl 2-cyano-3-hydroxybut-2-enoate

ethyl 2-cyano-3-hydroxybut-2-enoate

CAS: 634-55-9

Formula: C7H9NO3

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

IUPAC: ethyl 2-cyano-3-hydroxybut-2-enoate

InChI: InChI=1S/C7H9NO3/c1-3-11-7(10)6(4-8)5(2)9/h9H,3H2,1-2H3

Composition: C (54.19%), H (5.85%), N (9.03%), O (30.94%)

Molar Mass: 155.153

Atom Count: 20

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	155.058243154
Formal Charge	0
FSP3	0.43
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ZCGIXZHJMNCSDQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.66
Topological Polar Surface Area	70.32
Polarizability	14.69
Ring Count	0
Rotatable Bond Count	3

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