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137320-87-7 | 2-Propenoic acid, 2-methyl-, 3-(docosyloxy)-2-hydroxypropyl ester
CAS No: 137320-87-7 Catalog No: AG001340 MDL No:
Product Description
Catalog Number:
AG001340
Chemical Name:
2-Propenoic acid, 2-methyl-, 3-(docosyloxy)-2-hydroxypropyl ester
CAS Number:
137320-87-7
Molecular Formula:
C29H56O4
Molecular Weight:
468.7525
IUPAC Name:
(3-docosoxy-2-hydroxypropyl) 2-methylprop-2-enoate
InChI:
InChI=1S/C29H56O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-32-25-28(30)26-33-29(31)27(2)3/h28,30H,2,4-26H2,1,3H3
InChI Key:
LLQYFCFLRSINER-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCOCC(COC(=O)C(=C)C)O
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.418g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
468.763g/mol
Monoisotopic Mass:
468.418g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
11.3
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