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19773-56-9 | 13-Docosenoic acid, hexyl ester, (13Z)-
CAS No: 19773-56-9 Catalog No: AG002B04 MDL No:
Product Description
Catalog Number:
AG002B04
Chemical Name:
13-Docosenoic acid, hexyl ester, (13Z)-
CAS Number:
19773-56-9
Molecular Formula:
C28H54O2
Molecular Weight:
422.7272
IUPAC Name:
hexyl (Z)-docos-13-enoate
InChI:
InChI=1S/C28H54O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28(29)30-27-25-8-6-4-2/h13-14H,3-12,15-27H2,1-2H3/b14-13-
InChI Key:
BTCSWCWVQVIBDB-YPKPFQOOSA-N
SMILES:
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCCCCCC
EC Number:
243-291-1
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
422.412g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.738g/mol
Monoisotopic Mass:
422.412g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.1
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