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140-04-5 | 9-Octadecenoic acid, 12-(acetyloxy)-, butyl ester, (9Z,12R)-
CAS No: 140-04-5 Catalog No: AG001BX3 MDL No:MFCD00152308
Product Description
Catalog Number:
AG001BX3
Chemical Name:
9-Octadecenoic acid, 12-(acetyloxy)-, butyl ester, (9Z,12R)-
CAS Number:
140-04-5
Molecular Formula:
C24H44O4
Molecular Weight:
396.6038
MDL Number:
MFCD00152308
IUPAC Name:
butyl (Z,12R)-12-acetyloxyoctadec-9-enoate
InChI:
InChI=1S/C24H44O4/c1-4-6-8-15-18-23(28-22(3)25)19-16-13-11-9-10-12-14-17-20-24(26)27-21-7-5-2/h13,16,23H,4-12,14-15,17-21H2,1-3H3/b16-13-/t23-/m1/s1
InChI Key:
BEWFIPLBFJGWSR-AONZOJHOSA-N
SMILES:
CCCCCC[C@@H](OC(=O)C)C/C=C\CCCCCCCC(=O)OCCCC
EC Number:
205-393-4
UNII:
L4C4J38313
NSC Number:
2319
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Exact Mass:
396.324g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.612g/mol
Monoisotopic Mass:
396.324g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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