2-Hydroxy-5-Sulfobenzoic Acid

CAT: 0127-OR1010476-01Size: 100 gDry Ice: NoHazardous: No

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CAT#:0127-OR1010476-01Size:100 g

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CAS Number

5965-83-3

MDL Number

MFCD00149540

Purity

97%

Smiles

C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O.O.O

Chemical Information

Sulfosalicylic acid dihydrate

CAS Number	5965-83-3
PubChem CID	2723734
IUPAC Name	2-hydroxy-5-sulfobenzoic acid;dihydrate
Molecular Formula	C7H10O8S
Molecular Weight	254.22
Topological Polar Surface Area	122
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	316

SMILES

C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O.O.O

InChI

InChI=1S/C7H6O6S.2H2O/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;;/h1-3,8H,(H,9,10)(H,11,12,13);2*1H2

InChIKey

BHDKTFQBRFWJKR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5965-83-3

CID: 2723734

Formula: C7H10O8S

MW: 254.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	254.22
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	254.00963845
Monoisotopic Mass	254.00963845
Topological Polar Surface Area	122 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	316
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

Catalog	Name
OR1074269-01	3-Hydroxy-4-sulfobenzoic acid
OR1074055-01	2-Ethoxy-5-sulfobenzoic acid
OR937686-01	2-Amino-5-sulfobenzoic acid
OR83516-01	4-Sulfobenzoic acid
OR28884-01	2-Sulfobenzoic acid cyclic anhydride
OR1077660	2-Sulfobenzoic Acid Monoammonium Salt
OR1011672-01	4-Sulfobenzoic Acid Monopotassium Salt
OR1059581-01	5-Hydroxy-2-methylisonicotinic acid
OR5764-01	2-Hydroxy-5-nitronicotinic acid
OR400086-01	5-Hydroxy-2-iodobenzoic acid

Catalog	Name
FA149863-01	2-Amino-5-sulfobenzoic acid
AR-P02268-01	4-hydroxy-2-methyl-5-sulfobenzoic acid, disodium salt
AR-P02267-01	2-hydroxy-4-methyl-5-sulfobenzoic acid, sodium salt
AAA63225-01	2-Sulfobenzoic acid
425980-01	3-Hydroxy-4-sulfobenzoic Acid Potassium Salt
289334-01	2-Sulfobenzoic acid cyclic anhydride
sc-391112	O-Sulfobenzoic acid
AR-B06765-01	3-Sulfobenzoic Acid
RG-S211213-01	2-Sulfobenzoic Acid, Ammonia Salt
sc-215945	Tetrabromo-2-sulfobenzoic acid cyclic anhydride