ethyl 4-acetamidobenzoate

ethyl 4-acetamidobenzoate

CAS: 5338-44-3

Formula: C11H13NO3

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

IUPAC: ethyl 4-acetamidobenzoate

InChI: InChI=1S/C11H13NO3/c1-3-15-11(14)9-4-6-10(7-5-9)12-8(2)13/h4-7H,3H2,1-2H3,(H,12,13)

Composition: C (63.76%), H (6.32%), N (6.76%), O (23.16%)

Molar Mass: 207.229

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	207.089543283
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	NHLOBHNRBWKNIO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.69
Topological Polar Surface Area	55.4
Polarizability	21.48
Ring Count	1
Rotatable Bond Count	4

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