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2490-16-6 | Octadecanoic acid, 16-methyl-, methyl ester
CAS No: 2490-16-6 Catalog No: AG002PT8 MDL No:
Product Description
Catalog Number:
AG002PT8
Chemical Name:
Octadecanoic acid, 16-methyl-, methyl ester
CAS Number:
2490-16-6
Molecular Formula:
C20H40O2
Molecular Weight:
312.5304
IUPAC Name:
methyl 16-methyloctadecanoate
InChI:
InChI=1S/C20H40O2/c1-4-19(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-20(21)22-3/h19H,4-18H2,1-3H3
InChI Key:
IAAPBHVWQFGAED-UHFFFAOYSA-N
SMILES:
CCC(CCCCCCCCCCCCCCC(=O)OC)C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.303g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.538g/mol
Monoisotopic Mass:
312.303g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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