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10138-10-0 | Butanoic acid, 4-oxo-, ethyl ester
CAS No: 10138-10-0 Catalog No: AG0004CD MDL No:MFCD01683413
Product Description
Catalog Number:
AG0004CD
Chemical Name:
Butanoic acid, 4-oxo-, ethyl ester
CAS Number:
10138-10-0
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
MDL Number:
MFCD01683413
IUPAC Name:
ethyl 4-oxobutanoate
InChI:
InChI=1S/C6H10O3/c1-2-9-6(8)4-3-5-7/h5H,2-4H2,1H3
InChI Key:
QFMPHCGACBODIJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC=O
UNII:
0592D2Y8Z0
Properties
Complexity:
98.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.143g/mol
Monoisotopic Mass:
130.063g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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