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86018-60-2 | Sodium propoxyacetate
CAS No: 86018-60-2 Catalog No: AG004LS7 MDL No:
Product Description
Catalog Number:
AG004LS7
Chemical Name:
Sodium propoxyacetate
CAS Number:
86018-60-2
Molecular Formula:
C5H9NaO3
Molecular Weight:
140.1129
IUPAC Name:
sodium;2-propoxyacetate
InChI:
InChI=1S/C5H10O3.Na/c1-2-3-8-4-5(6)7;/h2-4H2,1H3,(H,6,7);/q;+1/p-1
InChI Key:
ZHZHUAIPSNUUGI-UHFFFAOYSA-M
SMILES:
CCCOCC(=O)[O-].[Na+]
Properties
Complexity:
74.6
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:
4
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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