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88099-80-3 | Octadecanoic acid, 12-methoxy-12-methyl-
CAS No: 88099-80-3 Catalog No: AG004J21 MDL No:
Product Description
Catalog Number:
AG004J21
Chemical Name:
Octadecanoic acid, 12-methoxy-12-methyl-
CAS Number:
88099-80-3
Molecular Formula:
C20H40O3
Molecular Weight:
328.5298
IUPAC Name:
12-methoxy-12-methyloctadecanoic acid
InChI:
InChI=1S/C20H40O3/c1-4-5-6-14-17-20(2,23-3)18-15-12-10-8-7-9-11-13-16-19(21)22/h4-18H2,1-3H3,(H,21,22)
InChI Key:
OTHUZHSEBAGAHO-UHFFFAOYSA-N
SMILES:
CCCCCCC(CCCCCCCCCCC(=O)O)(OC)C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.298g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.537g/mol
Monoisotopic Mass:
328.298g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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