5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylic acid

5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylic acid

CAS: 790681-94-6

Formula: C13H10O4S

SMILES: OC(=O)C1=CC=C(S1)C1=CC2=C(OCCO2)C=C1

IUPAC: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylic acid

InChI: InChI=1S/C13H10O4S/c14-13(15)12-4-3-11(18-12)8-1-2-9-10(7-8)17-6-5-16-9/h1-4,7H,5-6H2,(H,14,15)

Composition: C (59.53%), H (3.84%), O (24.40%), S (12.22%)

Molar Mass: 262.28

Atom Count: 28

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	262.029979976
Formal Charge	0
FSP3	0.15
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	FCVOTGBTGIHSBK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.08
Topological Polar Surface Area	55.76
Polarizability	26.6
Ring Count	3
Rotatable Bond Count	2

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