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304672-01-3 | 1-Propanesulfonic acid, sodium salt, hydrate (1:1:1)
CAS No: 304672-01-3 Catalog No: AG00308C MDL No:MFCD00167033
Product Description
Catalog Number:
AG00308C
Chemical Name:
1-Propanesulfonic acid, sodium salt, hydrate (1:1:1)
CAS Number:
304672-01-3
Molecular Formula:
C3H9NaO4S
Molecular Weight:
164.1559
MDL Number:
MFCD00167033
IUPAC Name:
sodium;propane-1-sulfonate;hydrate
InChI:
InChI=1S/C3H8O3S.Na.H2O/c1-2-3-7(4,5)6;;/h2-3H2,1H3,(H,4,5,6);;1H2/q;+1;/p-1
InChI Key:
QBQVXXQXZXDEHE-UHFFFAOYSA-M
SMILES:
CCCS(=O)(=O)[O-].O.[Na+]
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.012g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.151g/mol
Monoisotopic Mass:
164.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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