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1,3-Dimethoxypropane-2-sulfonamide

CAT: 0926-AZC96317-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-AZC96317-01Size:50 mg
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CAS Number
1850963-17-5
MDL Number
MFCD30342716
Smiles
COCC (COC) S (=O) (=O) N
Molecular Formula
C5H13NO4S
Molecular Weight
183.23 g/mol
Controlled
No

Chemical Information

1,3-Dimethoxypropane-2-sulfonamide
CAS Number1850963-17-5
PubChem CID122163196
IUPAC Name1,3-dimethoxypropane-2-sulfonamide
Molecular FormulaC5H13NO4S
Molecular Weight183.23
XLogP-1.3
Topological Polar Surface Area87
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count11
Formal Charge0
Complexity177
SMILES
COCC(COC)S(=O)(=O)N
InChI
InChI=1S/C5H13NO4S/c1-9-3-5(4-10-2)11(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8)
InChIKey
TXZCLYIEOHWEDD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dimethoxypropane-2-sulfonamide
CAS: 1850963-17-5
CID: 122163196
Formula: C5H13NO4S
MW: 183.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight183.23
XLogP3-1.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass183.05652907
Monoisotopic Mass183.05652907
Topological Polar Surface Area87 Ų
Heavy Atom Count11
Formal Charge0
Complexity177
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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