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88409-20-5

88409-20-5 | Cyclooct[d]isoxazole, 4,5,6,7-tetrahydro-3-(2,4,6-trimethylphenyl)-

CAS No: 88409-20-5 Catalog No: AG004KNO MDL No:

Product Description

Catalog Number:
AG004KNO
Chemical Name:
Cyclooct[d]isoxazole, 4,5,6,7-tetrahydro-3-(2,4,6-trimethylphenyl)-
CAS Number:
88409-20-5
Molecular Formula:
C18H21NO
Molecular Weight:
267.3654
IUPAC Name:
3-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydrocycloocta[d][1,2]oxazole
InChI:
InChI=1S/C18H21NO/c1-12-10-13(2)17(14(3)11-12)18-15-8-6-4-5-7-9-16(15)20-19-18/h7,9-11H,4-6,8H2,1-3H3
InChI Key:
OVSAHIXTCCTUDL-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)c1noc2c1CCCCC=C2

Properties

Complexity:
341  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.162g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.372g/mol
Monoisotopic Mass:
267.162g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
5.3  

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