2,3-dimethoxy-5-sulfamoylbenzoic acid

2,3-dimethoxy-5-sulfamoylbenzoic acid

CAS: 66644-80-2

Formula: C9H11NO6S

SMILES: COC1=C(OC)C(=CC(=C1)S(N)(=O)=O)C(O)=O

IUPAC: 2,3-dimethoxy-5-sulfamoylbenzoic acid

InChI: InChI=1S/C9H11NO6S/c1-15-7-4-5(17(10,13)14)3-6(9(11)12)8(7)16-2/h3-4H,1-2H3,(H,11,12)(H2,10,13,14)

Composition: C (41.38%), H (4.24%), N (5.36%), O (36.74%), S (12.27%)

Molar Mass: 261.25

Atom Count: 28

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	261.030708252
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	YEVQOPOKMKTXMD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.4
Topological Polar Surface Area	115.92
Polarizability	23.19
Ring Count	1
Rotatable Bond Count	4

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