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117-47-5 | Propanedioic acid, 2-(1-methylbutyl)-, 1,3-diethyl ester
CAS No: 117-47-5 Catalog No: AG000DIN MDL No:
Product Description
Catalog Number:
AG000DIN
Chemical Name:
Propanedioic acid, 2-(1-methylbutyl)-, 1,3-diethyl ester
CAS Number:
117-47-5
Molecular Formula:
C12H22O4
Molecular Weight:
230.3007
IUPAC Name:
diethyl 2-pentan-2-ylpropanedioate
InChI:
InChI=1S/C12H22O4/c1-5-8-9(4)10(11(13)15-6-2)12(14)16-7-3/h9-10H,5-8H2,1-4H3
InChI Key:
RQFSNEWORATSCC-UHFFFAOYSA-N
SMILES:
CCCC(C(C(=O)OCC)C(=O)OCC)C
EC Number:
204-193-4
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.304g/mol
Monoisotopic Mass:
230.152g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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