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177321-54-9 | Spiro[4H-cyclopent[c]isoxazole-4,2'-[1,3]dioxolane] (9CI)
CAS No: 177321-54-9 Catalog No: AG00258M MDL No:
Product Description
Catalog Number:
AG00258M
Chemical Name:
Spiro[4H-cyclopent[c]isoxazole-4,2'-[1,3]dioxolane] (9CI)
CAS Number:
177321-54-9
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
IUPAC Name:
spiro[1,3-dioxolane-2,4'-cyclopenta[c][1,2]oxazole]
InChI:
InChI=1S/C8H7NO3/c1-2-8(10-3-4-11-8)6-5-12-9-7(1)6/h1-2,5H,3-4H2
InChI Key:
WUZAHMFGUHOZBK-UHFFFAOYSA-N
SMILES:
C1COC2(O1)C=Cc1c2con1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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