{3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthen]-5-ylformamido}azanium chloride

{3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthen]-5-ylformamido}azanium chloride

CAS: 2183440-64-2

Formula: C21H15ClN2O6

SMILES: [Cl-].[NH3+]NC(=O)C1=CC=C2C(=C1)C(=O)OC21C2=CC=C(O)C=C2OC2=CC(O)=CC=C12

IUPAC: ({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl}formamido)azanium chloride

InChI: InChI=1S/C21H14N2O6.ClH/c22-23-19(26)10-1-4-14-13(7-10)20(27)29-21(14)15-5-2-11(24)8-17(15)28-18-9-12(25)3-6-16(18)21;/h1-9,24-25H,22H2,(H,23,26);1H

Composition: C (59.10%), H (3.54%), Cl (8.31%), N (6.56%), O (22.49%)

Molar Mass: 426.81

Atom Count: 45

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	426.0618639
Formal Charge	0
FSP3	0.05
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
InChIKey	MQTNYOYAGAAOGP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	115.01
Topological Polar Surface Area	132.73
Polarizability	38.75
Ring Count	5
Rotatable Bond Count	1

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