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Isooctadecanoic acid

CAS No.:
30399-84-9
Catalog Number:
AG002ZZD
Molecular Formula:
C18H36O2
Molecular Weight:
284.4772
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Product Description
Catalog Number:
AG002ZZD
Chemical Name:
Isooctadecanoic acid
CAS Number:
30399-84-9
Molecular Formula:
C18H36O2
Molecular Weight:
284.4772
MDL Number:
MFCD00044082
IUPAC Name:
16-methylheptadecanoic acid
InChI:
InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
InChI Key:
XDOFQFKRPWOURC-UHFFFAOYSA-N
SMILES:
CC(CCCCCCCCCCCCCCC(=O)O)C
UNII:
LZM5XA0ILL
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.272g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
284.484g/mol
Monoisotopic Mass:
284.272g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2  
Literature
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Properties