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133-13-1 | Propanedioic acid, 2-ethyl-, 1,3-diethyl ester
CAS No: 133-13-1 Catalog No: AG0011HG MDL No:MFCD00009167
Product Description
Catalog Number:
AG0011HG
Chemical Name:
Propanedioic acid, 2-ethyl-, 1,3-diethyl ester
CAS Number:
133-13-1
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
MDL Number:
MFCD00009167
IUPAC Name:
diethyl 2-ethylpropanedioate
InChI:
InChI=1S/C9H16O4/c1-4-7(8(10)12-5-2)9(11)13-6-3/h7H,4-6H2,1-3H3
InChI Key:
VQAZCUCWHIIFGE-UHFFFAOYSA-N
SMILES:
CCC(C(=O)OCC)C(=O)OCC
EC Number:
205-093-3
UNII:
69G92OYR3M
NSC Number:
8706
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.223g/mol
Monoisotopic Mass:
188.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Selective addition to [60]fullerene of two different radicals generated from Mn(III)-based radical reaction. | Organic & biomolecular chemistry 20040421 |
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