methyl 4-(2-cyanoacetamido)benzoate

methyl 4-(2-cyanoacetamido)benzoate

CAS: 107233-58-9

Formula: C11H10N2O3

SMILES: COC(=O)C1=CC=C(NC(=O)CC#N)C=C1

IUPAC: methyl 4-(2-cyanoacetamido)benzoate

InChI: InChI=1S/C11H10N2O3/c1-16-11(15)8-2-4-9(5-3-8)13-10(14)6-7-12/h2-5H,6H2,1H3,(H,13,14)

Composition: C (60.55%), H (4.62%), N (12.84%), O (22.00%)

Molar Mass: 218.212

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	218.06914219
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LFWDCPQCWQRTQW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.27
Topological Polar Surface Area	79.19
Polarizability	21.36
Ring Count	1
Rotatable Bond Count	4

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