methyl 2-(cyanomethyl)-3-methoxybenzoate

methyl 2-(cyanomethyl)-3-methoxybenzoate

CAS: 145498-86-8

Formula: C11H11NO3

SMILES: COC(=O)C1=CC=CC(OC)=C1CC#N

IUPAC: methyl 2-(cyanomethyl)-3-methoxybenzoate

InChI: InChI=1S/C11H11NO3/c1-14-10-5-3-4-9(11(13)15-2)8(10)6-7-12/h3-5H,6H2,1-2H3

Composition: C (64.38%), H (5.40%), N (6.83%), O (23.39%)

Molar Mass: 205.213

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	205.073893218
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	DAWBZAJVUJBYMZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.83
Topological Polar Surface Area	59.32
Polarizability	20.81
Ring Count	1
Rotatable Bond Count	4

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