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112586-85-3 | 3H-Cyclopent[c]isoxazole, 3a,4,5,6-tetrahydro-6-(2-propenyl)-, trans-
CAS No: 112586-85-3 Catalog No: AG008268 MDL No:
Product Description
Catalog Number:
AG008268
Chemical Name:
3H-Cyclopent[c]isoxazole, 3a,4,5,6-tetrahydro-6-(2-propenyl)-, trans-
CAS Number:
112586-85-3
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
IUPAC Name:
6-prop-2-enyl-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole
InChI:
InChI=1S/C9H13NO/c1-2-3-7-4-5-8-6-11-10-9(7)8/h2,7-8H,1,3-6H2
InChI Key:
NECXWKWYLAQUBU-UHFFFAOYSA-N
SMILES:
C=CC[C@H]1CC[C@@H]2C1=NOC2
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.1g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.209g/mol
Monoisotopic Mass:
151.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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