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113526-01-5 | Propanoic acid, 3-ethoxy-, 2-ethylhexyl ester
CAS No: 113526-01-5 Catalog No: AG0008WG MDL No:
Product Description
Catalog Number:
AG0008WG
Chemical Name:
Propanoic acid, 3-ethoxy-, 2-ethylhexyl ester
CAS Number:
113526-01-5
Molecular Formula:
C13H26O3
Molecular Weight:
230.3437
IUPAC Name:
2-ethylhexyl 3-ethoxypropanoate
InChI:
InChI=1S/C13H26O3/c1-4-7-8-12(5-2)11-16-13(14)9-10-15-6-3/h12H,4-11H2,1-3H3
InChI Key:
BMWQJFMEYZGKPB-UHFFFAOYSA-N
SMILES:
CCCCC(COC(=O)CCOCC)CC
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.188g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.348g/mol
Monoisotopic Mass:
230.188g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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