3,5-bis(ethoxycarbonyl)benzoic acid

3,5-bis(ethoxycarbonyl)benzoic acid

CAS: 4105-93-5

Formula: C13H14O6

SMILES: CCOC(=O)C1=CC(=CC(=C1)C(O)=O)C(=O)OCC

IUPAC: 3,5-bis(ethoxycarbonyl)benzoic acid

InChI: InChI=1S/C13H14O6/c1-3-18-12(16)9-5-8(11(14)15)6-10(7-9)13(17)19-4-2/h5-7H,3-4H2,1-2H3,(H,14,15)

Composition: C (58.65%), H (5.30%), O (36.05%)

Molar Mass: 266.249

Atom Count: 33

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	266.079038171
Formal Charge	0
FSP3	0.31
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	GAVXMTRMXPWCCV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.86
Topological Polar Surface Area	89.9
Polarizability	25.29
Ring Count	1
Rotatable Bond Count	7

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