2-(3,4,5-trimethoxyphenyl)acetonitrile

2-(3,4,5-trimethoxyphenyl)acetonitrile

CAS: 13338-63-1

Formula: C11H13NO3

SMILES: COC1=CC(CC#N)=CC(OC)=C1OC

IUPAC: 2-(3,4,5-trimethoxyphenyl)acetonitrile

InChI: InChI=1S/C11H13NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4H2,1-3H3

Composition: C (63.76%), H (6.32%), N (6.76%), O (23.16%)

Molar Mass: 207.229

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	207.089543283
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	ACFJNTXCEQCDBX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.73
Topological Polar Surface Area	51.48
Polarizability	21.42
Ring Count	1
Rotatable Bond Count	4

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