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13831-30-6 | Acetic acid, 2-(acetyloxy)-
CAS No: 13831-30-6 Catalog No: AG0018IQ MDL No:MFCD00011551
Product Description
Catalog Number:
AG0018IQ
Chemical Name:
Acetic acid, 2-(acetyloxy)-
CAS Number:
13831-30-6
Molecular Formula:
C4H6O4
Molecular Weight:
118.0880
MDL Number:
MFCD00011551
IUPAC Name:
2-acetyloxyacetic acid
InChI:
InChI=1S/C4H6O4/c1-3(5)8-2-4(6)7/h2H2,1H3,(H,6,7)
InChI Key:
MLXDUYUQINCFFV-UHFFFAOYSA-N
SMILES:
CC(=O)OCC(=O)O
EC Number:
237-541-9
UNII:
YMD9TFB2PG
NSC Number:
72984
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:
-0.3
Literature
| Title | Journal |
|---|---|
| Prohormone-substrate peptide sequence recognition by peptidylglycine α-amidating monooxygenase and its reflection in increased glycolate inhibitor potency. | Bioorganic & medicinal chemistry letters 20121201 |
| Tetramic and tetronic acids as scaffolds in bioinorganic and bioorganic chemistry. | Bioinorganic chemistry and applications 20100101 |
| Ultrasonic chemical oxidative degradations of 1,3-dialkylimidazolium ionic liquids and their mechanistic elucidations. | Dalton transactions (Cambridge, England : 2003) 20070521 |
| Production of 16beta-(acetoxy)acetoxy derivatives by reaction of 17-keto steroid enol acetates with lead (IV) acetate. | Steroids 20011001 |
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