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137641-43-1 | 9-Tridecenoic acid, methyl ester
CAS No: 137641-43-1 Catalog No: AG0013NQ MDL No:
Product Description
Catalog Number:
AG0013NQ
Chemical Name:
9-Tridecenoic acid, methyl ester
CAS Number:
137641-43-1
Molecular Formula:
C14H26O2
Molecular Weight:
226.3550
IUPAC Name:
methyl tridec-9-enoate
InChI:
InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(15)16-2/h5-6H,3-4,7-13H2,1-2H3
InChI Key:
DNKFLWLEQCGFOL-UHFFFAOYSA-N
SMILES:
CCCC=CCCCCCCCC(=O)OC
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.193g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.36g/mol
Monoisotopic Mass:
226.193g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.9
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