bis[(4-nitrophenyl)methyl]propanedioic acid

bis[(4-nitrophenyl)methyl]propanedioic acid

Formula: C17H14N2O8

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

IUPAC: bis[(4-nitrophenyl)methyl]propanedioic acid

InChI: InChI=1S/C17H14N2O8/c20-15(21)17(16(22)23,9-11-1-5-13(6-2-11)18(24)25)10-12-3-7-14(8-4-12)19(26)27/h1-8H,9-10H2,(H,20,21)(H,22,23)

Composition: C (54.55%), H (3.77%), N (7.48%), O (34.19%)

Molar Mass: 374.305

Atom Count: 41

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	374.075015419
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
InChIKey	XBTOPDJPKIXQGK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.1
Topological Polar Surface Area	160.88
Polarizability	34.1
Ring Count	2
Rotatable Bond Count	8

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C17H14N2O8		Quote Only