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1821-02-9 | Pentanoic acid, 2-oxo-
CAS No: 1821-02-9 Catalog No: AG0023DE MDL No:MFCD00066435
Product Description
Catalog Number:
AG0023DE
Chemical Name:
Pentanoic acid, 2-oxo-
CAS Number:
1821-02-9
Molecular Formula:
C5H8O3
Molecular Weight:
116.1152
MDL Number:
MFCD00066435
IUPAC Name:
2-oxopentanoic acid
InChI:
InChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h2-3H2,1H3,(H,7,8)
InChI Key:
KDVFRMMRZOCFLS-UHFFFAOYSA-N
SMILES:
CCCC(=O)C(=O)O
EC Number:
217-340-2
UNII:
01I0OE93A7
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.047g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
116.116g/mol
Monoisotopic Mass:
116.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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