3-(ethoxycarbonyl)-5-nitrobenzoic acid

3-(ethoxycarbonyl)-5-nitrobenzoic acid

CAS: 22871-55-2

Formula: C10H9NO6

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

IUPAC: 3-(ethoxycarbonyl)-5-nitrobenzoic acid

InChI: InChI=1S/C10H9NO6/c1-2-17-10(14)7-3-6(9(12)13)4-8(5-7)11(15)16/h3-5H,2H2,1H3,(H,12,13)

Composition: C (50.22%), H (3.79%), N (5.86%), O (40.13%)

Molar Mass: 239.183

Atom Count: 26

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	239.042987014
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	HOYHBDFTELAGGG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.41
Topological Polar Surface Area	106.74
Polarizability	21
Ring Count	1
Rotatable Bond Count	5

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