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85068-51-5 | 20-HYDROXY-3,6,9,12,15,18-HEXAOXAICOS-1-YL UNDEC-10-ENOATE
CAS No: 85068-51-5 Catalog No: AG004OP5 MDL No:
Product Description
Catalog Number:
AG004OP5
Chemical Name:
20-HYDROXY-3,6,9,12,15,18-HEXAOXAICOS-1-YL UNDEC-10-ENOATE
CAS Number:
85068-51-5
Molecular Formula:
C25H48O9
Molecular Weight:
492.6432
IUPAC Name:
2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl undec-10-enoate
InChI:
InChI=1S/C25H48O9/c1-2-3-4-5-6-7-8-9-10-25(27)34-24-23-33-22-21-32-20-19-31-18-17-30-16-15-29-14-13-28-12-11-26/h2,26H,1,3-24H2
InChI Key:
FSUNBVHKEPRZEA-UHFFFAOYSA-N
SMILES:
OCCOCCOCCOCCOCCOCCOCCOC(=O)CCCCCCCCC=C
EC Number:
285-311-1
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.33g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
492.65g/mol
Monoisotopic Mass:
492.33g/mol
Rotatable Bond Count:
30
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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