2-ethoxy-4-[(E)-{[(methoxycarbonyl)amino]imino}methyl]phenyl methanesulfonate

2-ethoxy-4-[(E)-{[(methoxycarbonyl)amino]imino}methyl]phenyl methanesulfonate

Formula: C12H16N2O6S

SMILES: CCOC1=CC(C=NNC(=O)OC)=CC=C1OS(C)(=O)=O

IUPAC: 2-ethoxy-4-[(E)-{[(methoxycarbonyl)amino]imino}methyl]phenyl methanesulfonate

InChI: InChI=1S/C12H16N2O6S/c1-4-19-11-7-9(8-13-14-12(15)18-2)5-6-10(11)20-21(3,16)17/h5-8H,4H2,1-3H3,(H,14,15)/b13-8+

Composition: C (45.56%), H (5.10%), N (8.86%), O (30.35%), S (10.14%)

Molar Mass: 316.33

Atom Count: 37

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	316.072907417
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	AFCWMIQDMTWLIE-MDWZMJQESA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.13
Topological Polar Surface Area	103.29
Polarizability	29.68
Ring Count	1
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H16N2O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00