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112586-86-4 | 3H-Cyclopent[c]isoxazole, 3a,4,5,6-tetrahydro-6-(1-methyl-2-propenyl)-
CAS No: 112586-86-4 Catalog No: AG007SX2 MDL No:
Product Description
Catalog Number:
AG007SX2
Chemical Name:
3H-Cyclopent[c]isoxazole, 3a,4,5,6-tetrahydro-6-(1-methyl-2-propenyl)-
CAS Number:
112586-86-4
Molecular Formula:
C10H15NO
Molecular Weight:
165.2322
IUPAC Name:
6-but-3-en-2-yl-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole
InChI:
InChI=1S/C10H15NO/c1-3-7(2)9-5-4-8-6-12-11-10(8)9/h3,7-9H,1,4-6H2,2H3
InChI Key:
GVSJSNGIWBZZCE-UHFFFAOYSA-N
SMILES:
CC(C1CCC2C1=NOC2)C=C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.236g/mol
Monoisotopic Mass:
165.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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