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80224-20-0 | Propanoic acid,3-mercapto-2-methyl-, sodium salt (1:1)
CAS No: 80224-20-0 Catalog No: AG005CA2 MDL No:
Product Description
Catalog Number:
AG005CA2
Chemical Name:
Propanoic acid,3-mercapto-2-methyl-, sodium salt (1:1)
CAS Number:
80224-20-0
Molecular Formula:
C4H7NaO2S
Molecular Weight:
142.1519
IUPAC Name:
sodium;2-methyl-3-sulfanylpropanoate
InChI:
InChI=1S/C4H8O2S.Na/c1-3(2-7)4(5)6;/h3,7H,2H2,1H3,(H,5,6);/q;+1/p-1
InChI Key:
FOTPRJUNQGWLCM-UHFFFAOYSA-M
SMILES:
[O-]C(=O)C(CS)C.[Na+]
EC Number:
279-421-9
Properties
Complexity:
76.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.006g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.148g/mol
Monoisotopic Mass:
142.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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