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178-10-9 | 3,3'-spirobi[3H-naphtho[2,1-b]pyran]
CAS No: 178-10-9 Catalog No: AG0025PF MDL No:
Product Description
Catalog Number:
AG0025PF
Chemical Name:
3,3'-spirobi[3H-naphtho[2,1-b]pyran]
CAS Number:
178-10-9
Molecular Formula:
C25H16O2
Molecular Weight:
348.3933
IUPAC Name:
3,3'-spirobi[benzo[f]chromene]
InChI:
InChI=1S/C25H16O2/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/h1-16H
InChI Key:
XJPKXCFTCNYEKP-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1C=CC3(Oc1cc2)C=Cc1c(O3)ccc2c1cccc2
EC Number:
205-869-1
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.115g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.401g/mol
Monoisotopic Mass:
348.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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