2-Sulfamoylacetic acid

CAT: 0926-SAA55100-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-SAA55100-01Size:50 mg

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CAS Number

17551-00-7

MDL Number

MFCD09971539

Smiles

C (C (=O) O) S (=O) (=O) N

Molecular Formula

C2H5NO4S

Molecular Weight

139.13 g/mol

Controlled

Chemical Information

2-Sulfamoylacetic acid

CAS Number	17551-00-7
PubChem CID	11083961
IUPAC Name	2-sulfamoylacetic acid
Molecular Formula	C2H5NO4S
Molecular Weight	139.13
XLogP	-1.5
Topological Polar Surface Area	106
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	175

SMILES

C(C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C2H5NO4S/c3-8(6,7)1-2(4)5/h1H2,(H,4,5)(H2,3,6,7)

InChIKey

FUYOZIVWKHUWQX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17551-00-7

CID: 11083961

Formula: C2H5NO4S

MW: 139.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	139.13
XLogP3	-1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	138.99392881
Monoisotopic Mass	138.99392881
Topological Polar Surface Area	106 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	175
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

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Catalog	Name
OR1102003-01	2-Sulfamoylacetic acid
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