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116277-76-0 | Acetic acid, 2-(1-methylethoxy)-, sodium salt (1:1)
CAS No: 116277-76-0 Catalog No: AG000C4C MDL No:
Product Description
Catalog Number:
AG000C4C
Chemical Name:
Acetic acid, 2-(1-methylethoxy)-, sodium salt (1:1)
CAS Number:
116277-76-0
Molecular Formula:
C5H9NaO3
Molecular Weight:
140.1129
IUPAC Name:
sodium;2-propan-2-yloxyacetate
InChI:
InChI=1S/C5H10O3.Na/c1-4(2)8-3-5(6)7;/h4H,3H2,1-2H3,(H,6,7);/q;+1/p-1
InChI Key:
JNXVHSVZZGWFIA-UHFFFAOYSA-M
SMILES:
CC(OCC(=O)[O-])C.[Na+]
Properties
Complexity:
82.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.045g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.114g/mol
Monoisotopic Mass:
140.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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