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1779-60-8 | Butanoic acid, 3-oxo-, propyl ester
CAS No: 1779-60-8 Catalog No: AG0025LS MDL No:MFCD00059405
Product Description
Catalog Number:
AG0025LS
Chemical Name:
Butanoic acid, 3-oxo-, propyl ester
CAS Number:
1779-60-8
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
MDL Number:
MFCD00059405
IUPAC Name:
propyl 3-oxobutanoate
InChI:
InChI=1S/C7H12O3/c1-3-4-10-7(9)5-6(2)8/h3-5H2,1-2H3
InChI Key:
DHGFMVMDBNLMKT-UHFFFAOYSA-N
SMILES:
CCCOC(=O)CC(=O)C
EC Number:
217-223-6
NSC Number:
42862
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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