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210978-51-1 | Pentanedioic acid, 2-hydroxy-, 1-ethyl ester
CAS No: 210978-51-1 Catalog No: AG002L3E MDL No:
Product Description
Catalog Number:
AG002L3E
Chemical Name:
Pentanedioic acid, 2-hydroxy-, 1-ethyl ester
CAS Number:
210978-51-1
Molecular Formula:
C7H11O5-
Molecular Weight:
175.1592
IUPAC Name:
5-ethoxy-4-hydroxy-5-oxopentanoate
InChI:
InChI=1S/C7H12O5/c1-2-12-7(11)5(8)3-4-6(9)10/h5,8H,2-4H2,1H3,(H,9,10)/p-1
InChI Key:
WJYDBQHZNGGQDG-UHFFFAOYSA-M
SMILES:
[O-]C(=O)CCC(C(=O)OCC)O
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.061g/mol
Formal Charge:
-1
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.16g/mol
Monoisotopic Mass:
175.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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