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88265-61-6 | Hexatriacontanoic acid, methyl ester
CAS No: 88265-61-6 Catalog No: AG004BST MDL No:
Product Description
Catalog Number:
AG004BST
Chemical Name:
Hexatriacontanoic acid, methyl ester
CAS Number:
88265-61-6
Molecular Formula:
C37H74O2
Molecular Weight:
550.9823
IUPAC Name:
methyl hexatriacontanoate
InChI:
InChI=1S/C37H74O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37(38)39-2/h3-36H2,1-2H3
InChI Key:
MUQQCYSVPQQKQN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
550.569g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
550.997g/mol
Monoisotopic Mass:
550.569g/mol
Rotatable Bond Count:
35
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
18.7
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