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20279-44-1 | Propanoic acid, 2-oxo-, butyl ester
CAS No: 20279-44-1 Catalog No: AG0028ES MDL No:MFCD03265385
Product Description
Catalog Number:
AG0028ES
Chemical Name:
Propanoic acid, 2-oxo-, butyl ester
CAS Number:
20279-44-1
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
MDL Number:
MFCD03265385
IUPAC Name:
butyl 2-oxopropanoate
InChI:
InChI=1S/C7H12O3/c1-3-4-5-10-7(9)6(2)8/h3-5H2,1-2H3
InChI Key:
ZAZUOXBHFXAWMD-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)C(=O)C
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:
1.2
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