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3095-95-2 | Acetic acid, 2-(diethoxyphosphinyl)-
CAS No: 3095-95-2 Catalog No: AG0031QP MDL No:MFCD00192032
Product Description
Catalog Number:
AG0031QP
Chemical Name:
Acetic acid, 2-(diethoxyphosphinyl)-
CAS Number:
3095-95-2
Molecular Formula:
C6H13O5P
Molecular Weight:
196.1382
MDL Number:
MFCD00192032
IUPAC Name:
2-diethoxyphosphorylacetic acid
InChI:
InChI=1S/C6H13O5P/c1-3-10-12(9,11-4-2)5-6(7)8/h3-5H2,1-2H3,(H,7,8)
InChI Key:
DVQMPWOLBFKUMM-UHFFFAOYSA-N
SMILES:
CCOP(=O)(CC(=O)O)OCC
EC Number:
608-560-3
UNII:
6L31G8862Z
NSC Number:
272281
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.05g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.139g/mol
Monoisotopic Mass:
196.05g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Highly (E)-selective Wadsworth-Emmons reactions promoted by methylmagnesium bromide. | Organic letters 20081204 |
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