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68698-58-8 | cis-3-Hexen-1-yl 2-Octynoate ,
CAS No: 68698-58-8 Catalog No: AG003OYE MDL No:MFCD00036654
Product Description
Catalog Number:
AG003OYE
Chemical Name:
cis-3-Hexen-1-yl 2-Octynoate ,
CAS Number:
68698-58-8
MDL Number:
MFCD00036654
IUPAC Name:
[(Z)-hex-3-enyl] oct-2-ynoate
InChI:
InChI=1S/C14H22O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h6,8H,3-5,7,9,11,13H2,1-2H3/b8-6-
InChI Key:
ANJQMBWSXVCLTG-VURMDHGXSA-N
EC Number:
272-087-5
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
222.162g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.328g/mol
Monoisotopic Mass:
222.162g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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