4-[3-(ethoxycarbonyl)piperidin-1-yl]-3-nitrobenzoic acid

4-[3-(ethoxycarbonyl)piperidin-1-yl]-3-nitrobenzoic acid

CAS: 942474-36-4

Formula: C15H18N2O6

SMILES: CCOC(=O)C1CCCN(C1)C1=C(C=C(C=C1)C(O)=O)[N+]([O-])=O

IUPAC: 4-[3-(ethoxycarbonyl)piperidin-1-yl]-3-nitrobenzoic acid

InChI: InChI=1/C15H18N2O6/c1-2-23-15(20)11-4-3-7-16(9-11)12-6-5-10(14(18)19)8-13(12)17(21)22/h5-6,8,11H,2-4,7,9H2,1H3,(H,18,19)

Composition: C (55.90%), H (5.63%), N (8.69%), O (29.78%)

Molar Mass: 322.317

Atom Count: 41

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	322.116486308
Formal Charge	0
FSP3	0.47
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	GCCRCENIRCAAIE-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.81
Topological Polar Surface Area	109.98
Polarizability	30.57
Ring Count	2
Rotatable Bond Count	6

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