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25091-20-7 | 3-Tetradecen-5-ynoic acid, methyl ester, (Z)- (8CI,9CI)
CAS No: 25091-20-7 Catalog No: AG002QGQ MDL No:
Product Description
Catalog Number:
AG002QGQ
Chemical Name:
3-Tetradecen-5-ynoic acid, methyl ester, (Z)- (8CI,9CI)
CAS Number:
25091-20-7
Molecular Formula:
C15H24O2
Molecular Weight:
236.3499
IUPAC Name:
methyl tetradec-3-en-5-ynoate
InChI:
InChI=1S/C15H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h12-13H,3-9,14H2,1-2H3
InChI Key:
JLKFZNYQOBNAIU-UHFFFAOYSA-N
SMILES:
CCCCCCCCC#C/C=C\CC(=O)OC
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.178g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.355g/mol
Monoisotopic Mass:
236.178g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.2
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