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1531114-52-9 | SODIUM 1,2-OXAZOL-3-YLMETHANESULFINATE
CAS No: 1531114-52-9 Catalog No: AG01C8DJ MDL No:MFCD24113387
Product Description
Catalog Number:
AG01C8DJ
Chemical Name:
SODIUM 1,2-OXAZOL-3-YLMETHANESULFINATE
CAS Number:
1531114-52-9
Molecular Formula:
C4H4NNaO3S
Molecular Weight:
169.1342
MDL Number:
MFCD24113387
IUPAC Name:
sodium;1,2-oxazol-3-ylmethanesulfinate
InChI:
InChI=1S/C4H5NO3S.Na/c6-9(7)3-4-1-2-8-5-4;/h1-2H,3H2,(H,6,7);/q;+1/p-1
InChI Key:
TXDWBRKGOPZLTC-UHFFFAOYSA-M
SMILES:
[O-]S(=O)Cc1ccon1.[Na+]
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.981g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.13g/mol
Monoisotopic Mass:
168.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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