methyl 3-acetamido-4-ethylbenzoate

methyl 3-acetamido-4-ethylbenzoate

Formula: C12H15NO3

SMILES: CCC1=C(NC(C)=O)C=C(C=C1)C(=O)OC

IUPAC: methyl 3-acetamido-4-ethylbenzoate

InChI: InChI=1S/C12H15NO3/c1-4-9-5-6-10(12(15)16-3)7-11(9)13-8(2)14/h5-7H,4H2,1-3H3,(H,13,14)

Composition: C (65.14%), H (6.83%), N (6.33%), O (21.69%)

Molar Mass: 221.256

Atom Count: 31

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	221.105193347
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HQEKYKFKVJDMDZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.59
Topological Polar Surface Area	55.4
Polarizability	23.24
Ring Count	1
Rotatable Bond Count	4

Suppliers

Chemcia Scientific, LLC

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<2 Days	C12H15NO3		$304.75-$908.50$304.75$454.25$908.50