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140-05-6 | 9-Octadecenoic acid, 12-(acetyloxy)-, 2-methoxyethyl ester, (9Z,12R)-
CAS No: 140-05-6 Catalog No: AG001BX2 MDL No:
Product Description
Catalog Number:
AG001BX2
Chemical Name:
9-Octadecenoic acid, 12-(acetyloxy)-, 2-methoxyethyl ester, (9Z,12R)-
CAS Number:
140-05-6
Molecular Formula:
C23H42O5
Molecular Weight:
398.5766
IUPAC Name:
2-methoxyethyl (Z,12R)-12-acetyloxyoctadec-9-enoate
InChI:
InChI=1S/C23H42O5/c1-4-5-6-13-16-22(28-21(2)24)17-14-11-9-7-8-10-12-15-18-23(25)27-20-19-26-3/h11,14,22H,4-10,12-13,15-20H2,1-3H3/b14-11-/t22-/m1/s1
InChI Key:
BJJRVZBBFAXWGR-QOYCNBSOSA-N
SMILES:
CCCCCC[C@@H](OC(=O)C)C/C=C\CCCCCCCC(=O)OCCOC
EC Number:
205-395-5
UNII:
O3U22O42Q9
NSC Number:
2199
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Exact Mass:
398.303g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.584g/mol
Monoisotopic Mass:
398.303g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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