methyl (2E)-3-(3-cyanophenyl)prop-2-enoate

methyl (2E)-3-(3-cyanophenyl)prop-2-enoate

CAS: 52116-81-1

Formula: C11H9NO2

SMILES: COC(=O)C=CC1=CC=CC(=C1)C#N

IUPAC: methyl (2E)-3-(3-cyanophenyl)prop-2-enoate

InChI: InChI=1S/C11H9NO2/c1-14-11(13)6-5-9-3-2-4-10(7-9)8-12/h2-7H,1H3/b6-5+

Composition: C (70.58%), H (4.85%), N (7.48%), O (17.09%)

Molar Mass: 187.198

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	187.063328534
Formal Charge	0
FSP3	0.09
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	BQJYULBYGRTLPZ-AATRIKPKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.55
Topological Polar Surface Area	50.09
Polarizability	20.04
Ring Count	1
Rotatable Bond Count	3

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