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Home > Other Heterocycles > 185449-76-7
185449-76-7 | Spiro[2H-naphtho[1,2-b]pyran-2,9'-[9H]xanthene], 2'-butoxy-7-methyl-
CAS No: 185449-76-7 Catalog No: AG00775Z MDL No:
Product Description
Catalog Number:
AG00775Z
Chemical Name:
Spiro[2H-naphtho[1,2-b]pyran-2,9'-[9H]xanthene], 2'-butoxy-7-methyl-
CAS Number:
185449-76-7
Molecular Formula:
C30H26O3
Molecular Weight:
434.5256
IUPAC Name:
2'-butoxy-7-methylspiro[benzo[h]chromene-2,9'-xanthene]
InChI:
InChI=1S/C30H26O3/c1-3-4-18-31-22-13-15-28-26(19-22)30(25-10-5-6-11-27(25)32-28)17-16-21-12-14-23-20(2)8-7-9-24(23)29(21)33-30/h5-17,19H,3-4,18H2,1-2H3
InChI Key:
SNZMCRCXYJQPHW-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc2c(c1)C1(C=Cc3c(O1)c1cccc(c1cc3)C)c1c(O2)cccc1
Properties
Complexity:
705
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.188g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
434.535g/mol
Monoisotopic Mass:
434.188g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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