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167769-12-2 | 3,10-Nonacosanediol
CAS No: 167769-12-2 Catalog No: AG001XKN MDL No:
Product Description
Catalog Number:
AG001XKN
Chemical Name:
3,10-Nonacosanediol
CAS Number:
167769-12-2
Molecular Formula:
C29H60O2
Molecular Weight:
440.7855
IUPAC Name:
nonacosane-3,10-diol
InChI:
InChI=1S/C29H60O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-29(31)27-24-21-20-22-25-28(30)4-2/h28-31H,3-27H2,1-2H3
InChI Key:
AZCAOVQLYUGFIV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCC(CCCCCCC(CC)O)O
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.459g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
440.797g/mol
Monoisotopic Mass:
440.459g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
12.3
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