2-amino-3-(2,4-dinitrophenyl)propanoic acid

2-amino-3-(2,4-dinitrophenyl)propanoic acid

Formula: C9H9N3O6

SMILES: NC(CC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)C(O)=O

IUPAC: 2-amino-3-(2,4-dinitrophenyl)propanoic acid

InChI: InChI=1/C9H9N3O6/c10-7(9(13)14)3-5-1-2-6(11(15)16)4-8(5)12(17)18/h1-2,4,7H,3,10H2,(H,13,14)

Composition: C (42.36%), H (3.56%), N (16.47%), O (37.62%)

Molar Mass: 255.186

Atom Count: 27

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	255.049135022
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	LLVUHQYJZJUDAM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.76
Topological Polar Surface Area	149.6
Polarizability	21.89
Ring Count	1
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C9H9N3O6		Quote Only

Molecule Market Select

Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C9H9N3O6		Quote Only