(2E)-3-(2-methoxyphenyl)but-2-enenitrile

(2E)-3-(2-methoxyphenyl)but-2-enenitrile

CAS: 1251474-62-0

Formula: C11H11NO

SMILES: COC1=C(C=CC=C1)C(C)=CC#N

IUPAC: (2E)-3-(2-methoxyphenyl)but-2-enenitrile

InChI: InChI=1S/C11H11NO/c1-9(7-8-12)10-5-3-4-6-11(10)13-2/h3-7H,1-2H3/b9-7+

Composition: C (76.28%), H (6.40%), N (8.09%), O (9.24%)

Molar Mass: 173.215

Atom Count: 24

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	173.084063978
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ZBPWJWXDCUFULS-VQHVLOKHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.78
Topological Polar Surface Area	33.02
Polarizability	19.81
Ring Count	1
Rotatable Bond Count	2

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