1,4-benzodioxine-6-carboxylic acid

1,4-benzodioxine-6-carboxylic acid

CAS: 67470-99-9

Formula: C9H6O4

SMILES: OC(=O)C1=CC=C2OC=COC2=C1

IUPAC: 1,4-benzodioxine-6-carboxylic acid

InChI: InChI=1S/C9H6O4/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-5H,(H,10,11)

Composition: C (60.68%), H (3.40%), O (35.92%)

Molar Mass: 178.143

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	178.026608673
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	NQERPEZSJJWHGE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.65
Topological Polar Surface Area	55.76
Polarizability	16.78
Ring Count	2
Rotatable Bond Count	1

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