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4949-44-4 | Ethyl Propionylacetate
CAS No: 4949-44-4 Catalog No: AG0034WS MDL No:MFCD00009317
Product Description
Catalog Number:
AG0034WS
Chemical Name:
Ethyl Propionylacetate
CAS Number:
4949-44-4
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
MDL Number:
MFCD00009317
IUPAC Name:
ethyl 3-oxopentanoate
InChI:
InChI=1S/C7H12O3/c1-3-6(8)5-7(9)10-4-2/h3-5H2,1-2H3
InChI Key:
UDRCONFHWYGWFI-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)CC
EC Number:
225-593-5
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Anti-UVC irradiation and metal chelation properties of 6-benzoyl-5,7-dihydroxy-4-phenyl-chromen-2-one: an implications for anti-cataract agent. | International journal of molecular sciences 20110101 |
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