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13192-05-7 | Butanedioic acid, 2-oxo-, 4-methyl ester
CAS No: 13192-05-7 Catalog No: AG000ZX0 MDL No:MFCD19229811
Product Description
Catalog Number:
AG000ZX0
Chemical Name:
Butanedioic acid, 2-oxo-, 4-methyl ester
CAS Number:
13192-05-7
Molecular Formula:
C5H5O5-
Molecular Weight:
145.0902
MDL Number:
MFCD19229811
IUPAC Name:
4-methoxy-2,4-dioxobutanoic acid
InChI:
InChI=1S/C5H6O5/c1-10-4(7)2-3(6)5(8)9/h2H2,1H3,(H,8,9)
InChI Key:
MAIRDOOJJIGWBJ-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)C(=O)[O-]
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.022g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.098g/mol
Monoisotopic Mass:
146.022g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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