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15968-01-1 | 1,2-Benzenedicarboxylic acid, sodium salt (1:2)
CAS No: 15968-01-1 Catalog No: AG001RAV MDL No:MFCD00050736
Product Description
Catalog Number:
AG001RAV
Chemical Name:
1,2-Benzenedicarboxylic acid, sodium salt (1:2)
CAS Number:
15968-01-1
Molecular Formula:
C8H4Na2O4
Molecular Weight:
210.0945
MDL Number:
MFCD00050736
IUPAC Name:
disodium;phthalate
InChI:
InChI=1S/C8H6O4.2Na/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;/q;2*+1/p-2
InChI Key:
HQWKKEIVHQXCPI-UHFFFAOYSA-L
SMILES:
[O-]C(=O)c1ccccc1C(=O)[O-].[Na+].[Na+]
UNII:
QB14YV193C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.99g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.096g/mol
Monoisotopic Mass:
209.99g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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