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7425-15-2 | Hexanoic acid,2-ethyl-, 2-ethylbutyl ester
CAS No: 7425-15-2 Catalog No: AG005CRB MDL No:
Product Description
Catalog Number:
AG005CRB
Chemical Name:
Hexanoic acid,2-ethyl-, 2-ethylbutyl ester
CAS Number:
7425-15-2
Molecular Formula:
C14H28O2
Molecular Weight:
228.3709
IUPAC Name:
2-ethylbutyl 2-ethylhexanoate
InChI:
InChI=1S/C14H28O2/c1-5-9-10-13(8-4)14(15)16-11-12(6-2)7-3/h12-13H,5-11H2,1-4H3
InChI Key:
ZBFXGRJSIVCJDQ-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)OCC(CC)CC)CC
EC Number:
231-058-7
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.209g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.376g/mol
Monoisotopic Mass:
228.209g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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