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2490-17-7 | Octadecanoic acid, 14-methyl-, methyl ester
CAS No: 2490-17-7 Catalog No: AG002PT7 MDL No:
Product Description
Catalog Number:
AG002PT7
Chemical Name:
Octadecanoic acid, 14-methyl-, methyl ester
CAS Number:
2490-17-7
Molecular Formula:
C20H40O2
Molecular Weight:
312.5304
IUPAC Name:
methyl 14-methyloctadecanoate
InChI:
InChI=1S/C20H40O2/c1-4-5-16-19(2)17-14-12-10-8-6-7-9-11-13-15-18-20(21)22-3/h19H,4-18H2,1-3H3
InChI Key:
DFYYJXKPWJCVLX-UHFFFAOYSA-N
SMILES:
CCCCC(CCCCCCCCCCCCC(=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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