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10203-58-4 | Propanedioic acid, 2-(2-methylpropyl)-, 1,3-diethyl ester
CAS No: 10203-58-4 Catalog No: AG0006EV MDL No:MFCD00026869
Product Description
Catalog Number:
AG0006EV
Chemical Name:
Propanedioic acid, 2-(2-methylpropyl)-, 1,3-diethyl ester
CAS Number:
10203-58-4
Molecular Formula:
C11H20O4
Molecular Weight:
216.2741
MDL Number:
MFCD00026869
IUPAC Name:
diethyl 2-(2-methylpropyl)propanedioate
InChI:
InChI=1S/C11H20O4/c1-5-14-10(12)9(7-8(3)4)11(13)15-6-2/h8-9H,5-7H2,1-4H3
InChI Key:
OFRFGNSZCYDFOH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)CC(C)C
EC Number:
233-504-6
NSC Number:
68522
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.277g/mol
Monoisotopic Mass:
216.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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