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93841-69-1

93841-69-1 | 4-ETHYL-2-HENICOSYL-4,5-DIHYDROOXAZOLE-4-METHANOL

CAS No: 93841-69-1 Catalog No: AG006CTM MDL No:

Product Description

Catalog Number:
AG006CTM
Chemical Name:
4-ETHYL-2-HENICOSYL-4,5-DIHYDROOXAZOLE-4-METHANOL
CAS Number:
93841-69-1
Molecular Formula:
C27H53NO2
Molecular Weight:
423.7152
IUPAC Name:
(4-ethyl-2-henicosyl-5H-1,3-oxazol-4-yl)methanol
InChI:
InChI=1S/C27H53NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-28-27(4-2,24-29)25-30-26/h29H,3-25H2,1-2H3
InChI Key:
SHDGHDNPKUYOTR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCC1=NC(CO1)(CC)CO
EC Number:
299-040-1

Properties

Complexity:
410  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.408g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
423.726g/mol
Monoisotopic Mass:
423.408g/mol
Rotatable Bond Count:
22  
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
10.4  

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