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141-97-9 | Butanoic acid, 3-oxo-, ethyl ester
CAS No: 141-97-9 Catalog No: AG001FRC MDL No:MFCD00009199
Product Description
Catalog Number:
AG001FRC
Chemical Name:
Butanoic acid, 3-oxo-, ethyl ester
CAS Number:
141-97-9
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
MDL Number:
MFCD00009199
IUPAC Name:
ethyl 3-oxobutanoate
InChI:
InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
InChI Key:
XYIBRDXRRQCHLP-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)C
EC Number:
205-516-1
UNII:
IZP61H3TB1
NSC Number:
8657
FEMA Number:
2415
RTECS Number:
AK5250000
UN Number:
1993
Properties
Complexity:
118
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:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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