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Home > Other Heterocycles > 4730-93-2
4730-93-2 | 3a',4',7',7a'-tetrahydrospiro[cyclopropane-1,8'-[2]oxa[4,7]methano[2]benzofuran]-1',3'-dione
CAS No: 4730-93-2 Catalog No: AG00JGQX MDL No:MFCD02689902
Product Description
Catalog Number:
AG00JGQX
Chemical Name:
3a',4',7',7a'-tetrahydrospiro[cyclopropane-1,8'-[2]oxa[4,7]methano[2]benzofuran]-1',3'-dione
CAS Number:
4730-93-2
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
MDL Number:
MFCD02689902
IUPAC Name:
spiro[4-oxatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
InChI:
InChI=1S/C11H10O3/c12-9-7-5-1-2-6(11(5)3-4-11)8(7)10(13)14-9/h1-2,5-8H,3-4H2
InChI Key:
KPGJKBBMROFHML-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C2C1C1C=CC2C21CC2
NSC Number:
244472
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.198g/mol
Monoisotopic Mass:
190.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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