ethyl (2E)-3-(3-aminophenyl)prop-2-enoate

ethyl (2E)-3-(3-aminophenyl)prop-2-enoate

CAS: 125872-97-1

Formula: C11H13NO2

SMILES: CCOC(=O)C=CC1=CC(N)=CC=C1

IUPAC: ethyl (2E)-3-(3-aminophenyl)prop-2-enoate

InChI: InChI=1S/C11H13NO2/c1-2-14-11(13)7-6-9-4-3-5-10(12)8-9/h3-8H,2,12H2,1H3/b7-6+

Composition: C (69.09%), H (6.85%), N (7.32%), O (16.73%)

Molar Mass: 191.23

Atom Count: 27

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	191.094628663
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	UEUURYZTMLPUEE-VOTSOKGWSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.28
Topological Polar Surface Area	52.32
Polarizability	21.19
Ring Count	1
Rotatable Bond Count	4

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