methyl 3-[2-(dimethylamino)ethenyl]-4-nitrobenzoate

methyl 3-[2-(dimethylamino)ethenyl]-4-nitrobenzoate

Formula: C12H14N2O4

SMILES: COC(=O)C1=CC(C=CN(C)C)=C(C=C1)[N+]([O-])=O

IUPAC: methyl 3-[2-(dimethylamino)ethenyl]-4-nitrobenzoate

InChI: InChI=1S/C12H14N2O4/c1-13(2)7-6-9-8-10(12(15)18-3)4-5-11(9)14(16)17/h4-8H,1-3H3

Composition: C (57.59%), H (5.64%), N (11.19%), O (25.57%)

Molar Mass: 250.254

Atom Count: 32

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	250.095356939
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	YNJPBYXXPDXCRM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.79
Topological Polar Surface Area	72.68
Polarizability	24.91
Ring Count	1
Rotatable Bond Count	5

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C12H14N2O4		Quote Only