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87622-09-1 | sodium; but-2-enedioic acid; 2-methylprop-2-enoate
CAS No: 87622-09-1 Catalog No: AG004P55 MDL No:
Product Description
Catalog Number:
AG004P55
Chemical Name:
sodium; but-2-enedioic acid; 2-methylprop-2-enoate
CAS Number:
87622-09-1
Molecular Formula:
C8H9NaO6
Molecular Weight:
224.1432
IUPAC Name:
sodium;(Z)-but-2-enedioic acid;2-methylprop-2-enoate
InChI:
InChI=1S/C4H4O4.C4H6O2.Na/c5-3(6)1-2-4(7)8;1-3(2)4(5)6;/h1-2H,(H,5,6)(H,7,8);1H2,2H3,(H,5,6);/q;;+1/p-1/b2-1-;;
InChI Key:
LHKBLYRMQQGIOD-UAIGNFCESA-M
SMILES:
CC(=C)C(=O)[O-].OC(=O)C=CC(=O)O.[Na+]
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
224.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.144g/mol
Monoisotopic Mass:
224.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| New polymeric materials for use in glass-ionomer cements. | Journal of dentistry 20060901 |
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