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72782-71-9 | 3,3'-Spirobi[3H-naphtho[2,1-b]pyran], 1,1',2,2'-tetrahydro-
CAS No: 72782-71-9 Catalog No: AG005F0U MDL No:
Product Description
Catalog Number:
AG005F0U
Chemical Name:
3,3'-Spirobi[3H-naphtho[2,1-b]pyran], 1,1',2,2'-tetrahydro-
CAS Number:
72782-71-9
Molecular Formula:
C25H20O2
Molecular Weight:
352.4251
IUPAC Name:
3,3'-spirobi[1,2-dihydrobenzo[f]chromene]
InChI:
InChI=1S/C25H20O2/c1-3-7-19-17(5-1)9-11-23-21(19)13-15-25(26-23)16-14-22-20-8-4-2-6-18(20)10-12-24(22)27-25/h1-12H,13-16H2
InChI Key:
YXEXIFUCYUHYNL-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1CCC3(Oc1cc2)CCc1c(O3)ccc2c1cccc2
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.146g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.433g/mol
Monoisotopic Mass:
352.146g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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