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140-03-4 | 9-Octadecenoic acid, 12-(acetyloxy)-, methyl ester, (9Z,12R)-
CAS No: 140-03-4 Catalog No: AG001BX4 MDL No:MFCD00026204
Product Description
Catalog Number:
AG001BX4
Chemical Name:
9-Octadecenoic acid, 12-(acetyloxy)-, methyl ester, (9Z,12R)-
CAS Number:
140-03-4
Molecular Formula:
C21H38O4
Molecular Weight:
354.5240
MDL Number:
MFCD00026204
IUPAC Name:
methyl (Z,12R)-12-acetyloxyoctadec-9-enoate
InChI:
InChI=1S/C21H38O4/c1-4-5-6-13-16-20(25-19(2)22)17-14-11-9-7-8-10-12-15-18-21(23)24-3/h11,14,20H,4-10,12-13,15-18H2,1-3H3/b14-11-/t20-/m1/s1
InChI Key:
CMOYPQWMTBSLJK-ACQXMXPUSA-N
SMILES:
CCCCCC[C@@H](OC(=O)C)C/C=C\CCCCCCCC(=O)OC
EC Number:
205-392-9
UNII:
1GNA03S90I
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Exact Mass:
354.277g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.531g/mol
Monoisotopic Mass:
354.277g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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