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Home > Other Heterocycles > 78525-59-4
78525-59-4 | 2,2'-Spirobi[2H-naphtho[2,3-b]pyran], 3-methyl-
CAS No: 78525-59-4 Catalog No: AG005A10 MDL No:
Product Description
Catalog Number:
AG005A10
Chemical Name:
2,2'-Spirobi[2H-naphtho[2,3-b]pyran], 3-methyl-
CAS Number:
78525-59-4
Molecular Formula:
C26H18O2
Molecular Weight:
362.4199
IUPAC Name:
3'-methyl-2,2'-spirobi[benzo[g]chromene]
InChI:
InChI=1S/C26H18O2/c1-17-12-23-14-19-7-3-5-9-21(19)16-25(23)28-26(17)11-10-22-13-18-6-2-4-8-20(18)15-24(22)27-26/h2-16H,1H3
InChI Key:
BNUDIMKMCOPZCA-UHFFFAOYSA-N
SMILES:
CC1=Cc2cc3ccccc3cc2OC21C=Cc1c(O2)cc2c(c1)cccc2
Properties
Complexity:
665
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.131g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.428g/mol
Monoisotopic Mass:
362.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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