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MOPS, Free Acid

CAT: 0024-sc-216097BSize: 1 KgDry Ice: NoHazardous: No
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CAT#:0024-sc-216097BSize:1 Kg
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CAS Number
1132-61-2

Chemical Information

Mops

3-(N-morpholino)propanesulfonic acid is a Good's buffer substance, pKa = 7.2 at 20 C. It is an organosulfonic acid, a member of morpholines and a MOPS. It is a conjugate acid of a 3-(N-morpholino)propanesulfonate. It is a tautomer of a 3-(N-morpholiniumyl)propanesulfonate.

CAS Number1132-61-2
PubChem CID70807
IUPAC Name3-morpholin-4-ylpropane-1-sulfonic acid
Molecular FormulaC7H15NO4S
Molecular Weight209.27
XLogP-3.1
Topological Polar Surface Area75.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity227
SMILES
C1COCCN1CCCS(=O)(=O)O
InChI
InChI=1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11)
InChIKey
DVLFYONBTKHTER-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mops
CAS: 1132-61-2
CID: 70807
Formula: C7H15NO4S
MW: 209.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight209.27
XLogP3-3.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass209.07217913
Monoisotopic Mass209.07217913
Topological Polar Surface Area75.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity227
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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