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164350-12-3 | 1-Tetracontanol
CAS No: 164350-12-3 Catalog No: AG001UTH MDL No:
Product Description
Catalog Number:
AG001UTH
Chemical Name:
1-Tetracontanol
CAS Number:
164350-12-3
Molecular Formula:
C40H82O
Molecular Weight:
579.0785
IUPAC Name:
tetracontan-1-ol
InChI:
InChI=1S/C40H82O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41/h41H,2-40H2,1H3
InChI Key:
UZSAQAWEIQNGJT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
UNII:
2E8PJ1V04W
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
578.637g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
579.095g/mol
Monoisotopic Mass:
578.637g/mol
Rotatable Bond Count:
38
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
20.3
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