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16695-14-0 | Propanedioic acid, 1-methyl ester
CAS No: 16695-14-0 Catalog No: AG001X1I MDL No:MFCD00667796
Product Description
Catalog Number:
AG001X1I
Chemical Name:
Propanedioic acid, 1-methyl ester
CAS Number:
16695-14-0
Molecular Formula:
C4H5O4-
Molecular Weight:
117.0801
MDL Number:
MFCD00667796
IUPAC Name:
3-methoxy-3-oxopropanoic acid
InChI:
InChI=1S/C4H6O4/c1-8-4(7)2-3(5)6/h2H2,1H3,(H,5,6)
InChI Key:
PBVZQAXFSQKDKK-UHFFFAOYSA-N
SMILES:
[O-]C(=O)CC(=O)OC
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.027g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
118.088g/mol
Monoisotopic Mass:
118.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Design, preparation, X-ray crystal structure, and reactivity of o-alkoxyphenyliodonium bis(methoxycarbonyl)methanide, a highly soluble carbene precursor. | Organic letters 20120615 |
| Two new triterpene glycosides with monomethyl malonate groups from the rhizome of Cimifuga foetida L. | Molecules (Basel, Switzerland) 20110705 |
| Practical large scale synthesis of half-esters of malonic acid. | Chemical & pharmaceutical bulletin 20090501 |
| The shape and information content of high-field solid-state proton NMR spectra of methyl groups. | Solid state nuclear magnetic resonance 20040601 |
| Succinate is a preferential metabolic stimulus-coupling signal for glucose-induced proinsulin biosynthesis translation. | Diabetes 20020801 |
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