6,7-diethoxy-3-methyl-1-benzofuran-2-carboxylic acid

6,7-diethoxy-3-methyl-1-benzofuran-2-carboxylic acid

CAS: 40713-26-6

Formula: C14H16O5

SMILES: CCOC1=CC=C2C(C)=C(OC2=C1OCC)C(O)=O

IUPAC: 6,7-diethoxy-3-methyl-1-benzofuran-2-carboxylic acid

InChI: InChI=1S/C14H16O5/c1-4-17-10-7-6-9-8(3)11(14(15)16)19-12(9)13(10)18-5-2/h6-7H,4-5H2,1-3H3,(H,15,16)

Composition: C (63.63%), H (6.10%), O (30.27%)

Molar Mass: 264.277

Atom Count: 35

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	264.099773615
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KSMNICDRZDYPNA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.5
Topological Polar Surface Area	68.9
Polarizability	27.54
Ring Count	2
Rotatable Bond Count	5

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