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68555-60-2 | Isoamyl 2-Octynoate ,
CAS No: 68555-60-2 Catalog No: AG003R25 MDL No:MFCD00036670
Product Description
Catalog Number:
AG003R25
Chemical Name:
Isoamyl 2-Octynoate ,
CAS Number:
68555-60-2
MDL Number:
MFCD00036670
IUPAC Name:
3-methylbutyl oct-2-ynoate
InChI:
InChI=1S/C13H22O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-7,10-11H2,1-3H3
InChI Key:
OTJSOSMJTUKXJR-UHFFFAOYSA-N
EC Number:
271-436-9
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.162g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.317g/mol
Monoisotopic Mass:
210.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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