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Home > Other Heterocycles > 128546-60-1
128546-60-1 | Spiro[bicyclo[2.2.1]heptane-2,2'-[2H]naphtho[1,2-b]pyran] (9CI)
CAS No: 128546-60-1 Catalog No: AG000Y74 MDL No:
Product Description
Catalog Number:
AG000Y74
Chemical Name:
Spiro[bicyclo[2.2.1]heptane-2,2'-[2H]naphtho[1,2-b]pyran] (9CI)
CAS Number:
128546-60-1
Molecular Formula:
C19H18O
Molecular Weight:
262.3456
IUPAC Name:
spiro[benzo[h]chromene-2,2'-bicyclo[2.2.1]heptane]
InChI:
InChI=1S/C19H18O/c1-2-4-17-14(3-1)6-7-15-9-10-19(20-18(15)17)12-13-5-8-16(19)11-13/h1-4,6-7,9-10,13,16H,5,8,11-12H2
InChI Key:
HFBCDESKXACWIK-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1OC3(C=Cc1cc2)CC1CC3CC1
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.136g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.352g/mol
Monoisotopic Mass:
262.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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