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13730-98-8 | Acetic acid, 2-(4-chlorophenoxy)-, sodium salt (1:1)
CAS No: 13730-98-8 Catalog No: AG00132O MDL No:MFCD01743486
Product Description
Catalog Number:
AG00132O
Chemical Name:
Acetic acid, 2-(4-chlorophenoxy)-, sodium salt (1:1)
CAS Number:
13730-98-8
Molecular Formula:
C8H6ClNaO3
Molecular Weight:
208.5742
MDL Number:
MFCD01743486
IUPAC Name:
sodium;2-(4-chlorophenoxy)acetate
InChI:
InChI=1S/C8H7ClO3.Na/c9-6-1-3-7(4-2-6)12-5-8(10)11;/h1-4H,5H2,(H,10,11);/q;+1/p-1
InChI Key:
CETFXLWWGIUWAI-UHFFFAOYSA-M
SMILES:
[O-]C(=O)COc1ccc(cc1)Cl.[Na+]
EC Number:
237-299-4
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.99g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.573g/mol
Monoisotopic Mass:
207.99g/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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