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24889-15-4 | Propanedioic acid, 2-(2-oxopropyl)-, 1,3-dimethyl ester
CAS No: 24889-15-4 Catalog No: AG002PQO MDL No:
Product Description
Catalog Number:
AG002PQO
Chemical Name:
Propanedioic acid, 2-(2-oxopropyl)-, 1,3-dimethyl ester
CAS Number:
24889-15-4
Molecular Formula:
C8H12O5
Molecular Weight:
188.1779
IUPAC Name:
dimethyl 2-(2-oxopropyl)propanedioate
InChI:
InChI=1S/C8H12O5/c1-5(9)4-6(7(10)12-2)8(11)13-3/h6H,4H2,1-3H3
InChI Key:
KFTGUZGYWNARRQ-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)OC)CC(=O)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.179g/mol
Monoisotopic Mass:
188.068g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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