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79951-02-3 | Propanoic acid, 2-oxo-, carboxymethyl ester
CAS No: 79951-02-3 Catalog No: AG005EXI MDL No:MFCD19231686
Product Description
Catalog Number:
AG005EXI
Chemical Name:
Propanoic acid, 2-oxo-, carboxymethyl ester
CAS Number:
79951-02-3
Molecular Formula:
C5H6O5
Molecular Weight:
146.0981
MDL Number:
MFCD19231686
IUPAC Name:
2-(2-oxopropanoyloxy)acetic acid
InChI:
InChI=1S/C5H6O5/c1-3(6)5(9)10-2-4(7)8/h2H2,1H3,(H,7,8)
InChI Key:
WRKCXTWVOWDGBE-UHFFFAOYSA-N
SMILES:
OC(=O)COC(=O)C(=O)C
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:
-0.4
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