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81077-10-3 | Pentanedioic acid, 2-hydroxy-, dimethyl ester
CAS No: 81077-10-3 Catalog No: AG005621 MDL No:
Product Description
Catalog Number:
AG005621
Chemical Name:
Pentanedioic acid, 2-hydroxy-, dimethyl ester
CAS Number:
81077-10-3
Molecular Formula:
C7H12O5
Molecular Weight:
176.1672
IUPAC Name:
dimethyl 2-hydroxypentanedioate
InChI:
InChI=1S/C7H12O5/c1-11-6(9)4-3-5(8)7(10)12-2/h5,8H,3-4H2,1-2H3
InChI Key:
SHBLBMNYOOCEFM-UHFFFAOYSA-N
SMILES:
COC(=O)CCC(C(=O)OC)O
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.168g/mol
Monoisotopic Mass:
176.068g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Electrochemical behaviour of dimethyl-2-oxoglutarate on glassy carbon electrode. | Bioelectrochemistry (Amsterdam, Netherlands) 20100201 |
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