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18202-24-9 | 10,13-Octadecadiynoic acid, methyl ester
CAS No: 18202-24-9 Catalog No: AG0023AO MDL No:
Product Description
Catalog Number:
AG0023AO
Chemical Name:
10,13-Octadecadiynoic acid, methyl ester
CAS Number:
18202-24-9
Molecular Formula:
C19H30O2
Molecular Weight:
290.4403
IUPAC Name:
methyl octadeca-10,13-diynoate
InChI:
InChI=1S/C19H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-5,8,11-18H2,1-2H3
InChI Key:
PCBPPTPURTWNQO-UHFFFAOYSA-N
SMILES:
CCCCC#CCC#CCCCCCCCCC(=O)OC
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.225g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.447g/mol
Monoisotopic Mass:
290.225g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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