1-ethyl 4-nitrophenyl 2-ethylpropanedioate

1-ethyl 4-nitrophenyl 2-ethylpropanedioate

CAS: 10565-13-6

Formula: C13H15NO6

SMILES: CCOC(=O)C(CC)C(=O)OC1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 1-ethyl 4-nitrophenyl 2-ethylpropanedioate

InChI: InChI=1/C13H15NO6/c1-3-11(12(15)19-4-2)13(16)20-10-7-5-9(6-8-10)14(17)18/h5-8,11H,3-4H2,1-2H3

Composition: C (55.51%), H (5.38%), N (4.98%), O (34.13%)

Molar Mass: 281.264

Atom Count: 35

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	281.089937207
Formal Charge	0
FSP3	0.38
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	UEVMOUBJCDNHON-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.55
Topological Polar Surface Area	95.74
Polarizability	26.71
Ring Count	1
Rotatable Bond Count	8

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<14 Days	10565-13-6		$94.50-$354.38$94.50$354.38