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25064-07-7 | Propanedioic acid, 2-(hydroxymethylene)-, 1,3-dimethyl ester, sodium salt (1:1)
CAS No: 25064-07-7 Catalog No: AG002QC9 MDL No:
Product Description
Catalog Number:
AG002QC9
Chemical Name:
Propanedioic acid, 2-(hydroxymethylene)-, 1,3-dimethyl ester, sodium salt (1:1)
CAS Number:
25064-07-7
Molecular Formula:
C6H8NaO5
Molecular Weight:
183.1145
IUPAC Name:
sodium;3-methoxy-2-methoxycarbonyl-3-oxoprop-1-en-1-olate
InChI:
InChI=1S/C6H8O5.Na/c1-10-5(8)4(3-7)6(9)11-2;/h3,7H,1-2H3;/q;+1/p-1
InChI Key:
GTSNNLKEYYAUGF-UHFFFAOYSA-M
SMILES:
COC(=O)C(=CO)C(=O)OC.[Na]
EC Number:
246-596-8
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.019g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.107g/mol
Monoisotopic Mass:
182.019g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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