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168787-21-1 | 1H-Cyclopent[c]isoxazole, hexahydro-3,3,6-trimethyl-, (3aα,6α,6aα)- (9CI)
CAS No: 168787-21-1 Catalog No: AG001YAO MDL No:
Product Description
Catalog Number:
AG001YAO
Chemical Name:
1H-Cyclopent[c]isoxazole, hexahydro-3,3,6-trimethyl-, (3aα,6α,6aα)- (9CI)
CAS Number:
168787-21-1
Molecular Formula:
C9H17NO
Molecular Weight:
155.2374
IUPAC Name:
3,3,6-trimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazole
InChI:
InChI=1S/C9H17NO/c1-6-4-5-7-8(6)10-11-9(7,2)3/h6-8,10H,4-5H2,1-3H3
InChI Key:
IGFNTDFSJHPJKU-UHFFFAOYSA-N
SMILES:
CC1CCC2C1NOC2(C)C
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.241g/mol
Monoisotopic Mass:
155.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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