(2E)-2-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile

(2E)-2-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile

CAS: 7520-69-6

Formula: C14H17NO4

SMILES: COCC(=CC1=CC(OC)=C(OC)C(OC)=C1)C#N

IUPAC: (2E)-2-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile

InChI: InChI=1S/C14H17NO4/c1-16-9-11(8-15)5-10-6-12(17-2)14(19-4)13(7-10)18-3/h5-7H,9H2,1-4H3/b11-5+

Composition: C (63.87%), H (6.51%), N (5.32%), O (24.31%)

Molar Mass: 263.293

Atom Count: 36

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	263.115758031
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	RMKSZKNEPFLURM-VZUCSPMQSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.31
Topological Polar Surface Area	60.71
Polarizability	27.4
Ring Count	1
Rotatable Bond Count	6

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