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84681-93-6 | Propanoic acid,3-(3-chlorophenoxy)-, sodium salt (1:1)
CAS No: 84681-93-6 Catalog No: AG004ZSP MDL No:
Product Description
Catalog Number:
AG004ZSP
Chemical Name:
Propanoic acid,3-(3-chlorophenoxy)-, sodium salt (1:1)
CAS Number:
84681-93-6
Molecular Formula:
C9H8ClNaO3
Molecular Weight:
222.6008
IUPAC Name:
sodium;3-(3-chlorophenoxy)propanoate
InChI:
InChI=1S/C9H9ClO3.Na/c10-7-2-1-3-8(6-7)13-5-4-9(11)12;/h1-3,6H,4-5H2,(H,11,12);/q;+1/p-1
InChI Key:
BFZYCNGAQXXVRF-UHFFFAOYSA-M
SMILES:
[O-]C(=O)CCOc1cccc(c1)Cl.[Na+]
EC Number:
283-554-8
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.006g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.6g/mol
Monoisotopic Mass:
222.006g/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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