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112526-14-4 | Oxazole, 4,5-dihydro-4,4-dimethyl-2-[13-(2-octylcyclopropyl)tridecyl]-
CAS No: 112526-14-4 Catalog No: AG0082DD MDL No:
Product Description
Catalog Number:
AG0082DD
Chemical Name:
Oxazole, 4,5-dihydro-4,4-dimethyl-2-[13-(2-octylcyclopropyl)tridecyl]-
CAS Number:
112526-14-4
Molecular Formula:
C29H55NO
Molecular Weight:
433.7531
IUPAC Name:
4,4-dimethyl-2-[13-(2-octylcyclopropyl)tridecyl]-5H-1,3-oxazole
InChI:
InChI=1S/C29H55NO/c1-4-5-6-7-15-18-21-26-24-27(26)22-19-16-13-11-9-8-10-12-14-17-20-23-28-30-29(2,3)25-31-28/h26-27H,4-25H2,1-3H3
InChI Key:
XXCINLLOYKTWQZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCC1CC1CCCCCCCCCCCCCC1=NC(CO1)(C)C
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.428g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
433.765g/mol
Monoisotopic Mass:
433.428g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
11.8
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