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69077-86-7 | Acetic acid, oxo-, 2-oxopropyl ester
CAS No: 69077-86-7 Catalog No: AG005LPJ MDL No:
Product Description
Catalog Number:
AG005LPJ
Chemical Name:
Acetic acid, oxo-, 2-oxopropyl ester
CAS Number:
69077-86-7
Molecular Formula:
C5H6O4
Molecular Weight:
130.0987
IUPAC Name:
2-oxopropyl 2-oxoacetate
InChI:
InChI=1S/C5H6O4/c1-4(7)3-9-5(8)2-6/h2H,3H2,1H3
InChI Key:
IOOQOJULHSGTSE-UHFFFAOYSA-N
SMILES:
O=CC(=O)OCC(=O)C
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.027g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.099g/mol
Monoisotopic Mass:
130.027g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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