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20103-33-7 | 4,4(5H)-Oxazoledimethanol, 2-heneicosyl-
CAS No: 20103-33-7 Catalog No: AG002D6O MDL No:
Product Description
Catalog Number:
AG002D6O
Chemical Name:
4,4(5H)-Oxazoledimethanol, 2-heneicosyl-
CAS Number:
20103-33-7
Molecular Formula:
C26H51NO3
Molecular Weight:
425.6880
IUPAC Name:
[2-henicosyl-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol
InChI:
InChI=1S/C26H51NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-27-26(22-28,23-29)24-30-25/h28-29H,2-24H2,1H3
InChI Key:
VZYJMLILGOPULB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCC1=NC(CO1)(CO)CO
EC Number:
243-515-8
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.387g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
425.698g/mol
Monoisotopic Mass:
425.387g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
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