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136968-84-8 | 7H-Pyrano[3,4-c]isoxazole,3,3a,4,5-tetrahydro-7-(1-methylethyl)-,trans-(9CI)
CAS No: 136968-84-8 Catalog No: AG00AHPN MDL No:
Product Description
Catalog Number:
AG00AHPN
Chemical Name:
7H-Pyrano[3,4-c]isoxazole,3,3a,4,5-tetrahydro-7-(1-methylethyl)-,trans-(9CI)
CAS Number:
136968-84-8
IUPAC Name:
(3aS,7S)-7-propan-2-yl-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole
InChI:
InChI=1S/C9H15NO2/c1-6(2)9-8-7(3-4-11-9)5-12-10-8/h6-7,9H,3-5H2,1-2H3/t7-,9+/m1/s1
InChI Key:
NTFKDXQGFYHDBA-APPZFPTMSA-N
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
169.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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