Octanedioic acid,1,8-diethyl ester

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Catalog Number
ACM2050239
Product Name
Octanedioic acid,1,8-diethyl ester
Structure
Structure
CAS
2050-23-9
Category
Heterocyclic Organic Compound
IUPAC Name
diethyl octanedioate
Molecular Weight
230.3g/mol
Molecular Formula
C12H22O4
Canonical SMILES
CCOC(=O)CCCCCCC(=O)OCC
InChI
InChI=1S/C12H22O4/c1-3-15-11(13)9-7-5-6-8-10-12(14)16-4-2/h3-10H2,1-2H3
InChI Key
PEUGOJXLBSIJQS-UHFFFAOYSA-N
Boiling Point
282.6 °C
Melting Point
5.9 °C
Solubility
0.00 M
Complexity
179
Covalently-Bonded Unit Count
1
EC Number
218-084-4
Exact Mass
230.151809g/mol
Formal Charge
0
H-Bond Acceptor
4
H-Bond Donor
0
Heavy Atom Count
16
Monoisotopic Mass
230.151809g/mol
NSC Number
62701
Rotatable Bond Count
11
XLogP3
2.4
MSDS
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COA
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Spec Sheet
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