3-Sulfobenzoic Acid

CAT: 1596-AR-B06765-01Size: 10 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-B06765-01Size:10 Units

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

121-53-9

Molecular Formula

C7H6O5S

Molecular Weight

202.18

API Name

Benzoic acid

Chemical Information

Benzoic acid, 3-sulfo-

CAS Number	121-53-9
PubChem CID	8477
IUPAC Name	3-sulfobenzoic acid
Molecular Formula	C7H6O5S
Molecular Weight	202.19
XLogP	0.1
Topological Polar Surface Area	100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	288

SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C7H6O5S/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,8,9)(H,10,11,12)

InChIKey

QMWGSOMVXSRXQX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 121-53-9

CID: 8477

Formula: C7H6O5S

MW: 202.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	202.19
XLogP3	0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	201.99359446
Monoisotopic Mass	201.99359446
Topological Polar Surface Area	100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	288
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	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-B06780-01	3-Hydroxy-4-Sulfobenzoic Acid Potassium Salt
AR-P02268-01	4-hydroxy-2-methyl-5-sulfobenzoic acid, disodium salt
AR-P02267-01	2-hydroxy-4-methyl-5-sulfobenzoic acid, sodium salt
AR-A01277-01	2- (4-chloro-3-sulfobenzoyl) benzoic acid
AR-P32949-01	3,3'-Sulfonyldipropanoic Acid
AR-P32851-01	3,3-Dimethoxypropanoic Acid
AR-S09892-01	3-Phenylsalicylic acid
AR-G00998-01	3-Isobutylglutaric Acid
AR-Q03882-01	3-Dehydroquinic Acid
AR-B08229-01	3-Chloroperbenzoic Acid

Catalog	Name
OR1074269-01	3-Hydroxy-4-sulfobenzoic acid
TRC-C382750-25MG	4-Chloro-3-sulfobenzoic Acid
OR83516-01	4-Sulfobenzoic acid
AAA63225-01	2-Sulfobenzoic acid
sc-391112	O-Sulfobenzoic acid
sc-266843	3-Sulfobenzoic acid disodium salt monohydrate
FAA39963	4-Sulfobenzoic acid potassium
FS32405-01	O-Sulfobenzoic acid anhydride
TRC-C382640-750MG	4-Chloro-3-nitro-5-sulfobenzoic acid
425980-01	3-Hydroxy-4-sulfobenzoic Acid Potassium Salt