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75164-73-7 | 9-Octadecenoic acid(9Z)-, tridecyl ester
CAS No: 75164-73-7 Catalog No: AG005E2M MDL No:
Product Description
Catalog Number:
AG005E2M
Chemical Name:
9-Octadecenoic acid(9Z)-, tridecyl ester
CAS Number:
75164-73-7
Molecular Formula:
C31H60O2
Molecular Weight:
464.8069
IUPAC Name:
tridecyl (Z)-octadec-9-enoate
InChI:
InChI=1S/C31H60O2/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31(32)33-30-28-26-24-22-20-14-12-10-8-6-4-2/h16-17H,3-15,18-30H2,1-2H3/b17-16-
InChI Key:
ORLIFRJRAMADMX-MSUUIHNZSA-N
SMILES:
CCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCC
EC Number:
278-090-8
UNII:
S5IHI68VM9
NSC Number:
152067
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
464.459g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
464.819g/mol
Monoisotopic Mass:
464.459g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.7
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