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14593-46-5 | 2-Butanol, 2-methyl-, sodium salt (1:1)
CAS No: 14593-46-5 Catalog No: AG001DIQ MDL No:MFCD00064245
Product Description
Catalog Number:
AG001DIQ
Chemical Name:
2-Butanol, 2-methyl-, sodium salt (1:1)
CAS Number:
14593-46-5
Molecular Formula:
C5H12NaO
Molecular Weight:
111.1379
MDL Number:
MFCD00064245
IUPAC Name:
sodium;2-methylbutan-2-olate
InChI:
InChI=1S/C5H11O.Na/c1-4-5(2,3)6;/h4H2,1-3H3;/q-1;+1
InChI Key:
CGRKYEALWSRNJS-UHFFFAOYSA-N
SMILES:
CCC(O)(C)C.[Na]
EC Number:
238-639-4
UNII:
51Z39PY5Z8
Properties
Complexity:
43.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.071g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.132g/mol
Monoisotopic Mass:
110.071g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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