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Home > Other Heterocycles > 204192-41-6
204192-41-6 | Spiro[cyclohexane-1,1'(3'H)-isobenzofuran]-4-one
CAS No: 204192-41-6 Catalog No: AG0029BV MDL No:
Product Description
Catalog Number:
AG0029BV
Chemical Name:
Spiro[cyclohexane-1,1'(3'H)-isobenzofuran]-4-one
CAS Number:
204192-41-6
Molecular Formula:
C13H14O2
Molecular Weight:
202.2491
IUPAC Name:
spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-one
InChI:
InChI=1S/C13H14O2/c14-11-5-7-13(8-6-11)12-4-2-1-3-10(12)9-15-13/h1-4H,5-9H2
InChI Key:
WYCAULLRAUQXQI-UHFFFAOYSA-N
SMILES:
O=C1CCC2(CC1)OCc1c2cccc1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.099g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.253g/mol
Monoisotopic Mass:
202.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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