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18299-78-0 | Tetradecanoic acid, heptadecyl ester
CAS No: 18299-78-0 Catalog No: AG0024B8 MDL No:
Product Description
Catalog Number:
AG0024B8
Chemical Name:
Tetradecanoic acid, heptadecyl ester
CAS Number:
18299-78-0
Molecular Formula:
C31H62O2
Molecular Weight:
466.8228
IUPAC Name:
heptadecyl tetradecanoate
InChI:
InChI=1S/C31H62O2/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-33-31(32)29-27-25-23-21-19-14-12-10-8-6-4-2/h3-30H2,1-2H3
InChI Key:
JNPBFEOFRVRCKZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC
NSC Number:
152081
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.475g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
466.835g/mol
Monoisotopic Mass:
466.475g/mol
Rotatable Bond Count:
29
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.7
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