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706791-71-1 | Spiro[cyclopentane-1,3'-[1H,3H]pyrrolo[1,2-c]oxazole](9CI)
CAS No: 706791-71-1 Catalog No: AG0065EB MDL No:
Product Description
Catalog Number:
AG0065EB
Chemical Name:
Spiro[cyclopentane-1,3'-[1H,3H]pyrrolo[1,2-c]oxazole](9CI)
CAS Number:
706791-71-1
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
IUPAC Name:
spiro[1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclopentane]
InChI:
InChI=1S/C10H13NO/c1-2-6-10(5-1)11-7-3-4-9(11)8-12-10/h3-4,7H,1-2,5-6,8H2
InChI Key:
YUQDOWQEEFZOEC-UHFFFAOYSA-N
SMILES:
C1CCC2(C1)OCc1n2ccc1
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
14.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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