(2E)-2-acetamido-3-phenylprop-2-enoic acid

(2E)-2-acetamido-3-phenylprop-2-enoic acid

CAS: 263389-54-4

Formula: C11H11NO3

SMILES: CC(=O)NC(=CC1=CC=CC=C1)C(O)=O

IUPAC: (2E)-2-acetamido-3-phenylprop-2-enoic acid

InChI: InChI=1S/C11H11NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13)(H,14,15)/b10-7+

Composition: C (64.38%), H (5.40%), N (6.83%), O (23.39%)

Molar Mass: 205.213

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	205.073893218
Formal Charge	0
FSP3	0.09
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	XODAOBAZOQSFDS-JXMROGBWSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.13
Topological Polar Surface Area	66.4
Polarizability	21.02
Ring Count	1
Rotatable Bond Count	3

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