Sulfanilic Acid Methyl Ester

CAT: 1596-AR-B06531-01Size: 10 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-B06531-01Size:10 Units

Selected

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

Quick Request Actions

CAS Number

55034-26-9

Molecular Formula

C7H9NO3S

Molecular Weight

187.21

API Name

Benzenesulfonic acid

Chemical Information

Methyl 4-aminobenzenesulfonate

CAS Number	55034-26-9
PubChem CID	18961215
IUPAC Name	methyl 4-aminobenzenesulfonate
Molecular Formula	C7H9NO3S
Molecular Weight	187.22
XLogP	0.5
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	224

SMILES

COS(=O)(=O)C1=CC=C(C=C1)N

InChI

InChI=1S/C7H9NO3S/c1-11-12(9,10)7-4-2-6(8)3-5-7/h2-5H,8H2,1H3

InChIKey

QIJOHVUUUWKJBT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 55034-26-9

CID: 18961215

Formula: C7H9NO3S

MW: 187.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	187.22
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	187.03031432
Monoisotopic Mass	187.03031432
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	224
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-F09667-01	Nervonic Acid Methyl Ester
AR-C07443-01	Hyodeoxycholic Acid Methyl Ester
AR-T02395-01	Myristicin Acid Methyl Ester
AR-M04112-01	Meclofenamic Acid Methyl Ester
AR-A07213-01	Deacetylasperulosidic Acid Methyl Ester
AR-A07211-01	Asperulosidic Acid Methyl Ester
AR-V01091-01	Valproic Acid Methyl Ester
AR-T01234-01	Tazarotenic Acid Methyl Ester
AR-R09916-01	Ricinic Acid Methyl Ester
AR-P30700-01	Pentanimidic Acid Methyl Ester

Catalog	Name
M3519-10	Methyl ß-Neuraminic Acid, Methyl Ester (Neuraminic Acid, ß-Methylglycoside, Methyl Ester)
sc-218724	Methyl β-Neuraminic Acid, Methyl Ester
444287-01	Chenodeoxycholic Acid Methyl Ester Triacetyl-β-D-glucuronic Acid Methyl Ester
FC58659-01	Cholic acid methyl ester
AAA11654-01	Dichloroacetic Acid Methyl Ester
FV71320-01	Vanillic acid methyl ester
T69064-01	Clavulanic Acid Methyl Ester
T203571-01	Cannabidiolic acid methyl ester
HY-N1578	Pyrocincholic acid methyl ester
T36765-01	Palmitelaidic Acid methyl ester