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824951-03-3 | 9H-Xanthen-9-ol, 9-(1-naphthalenyl)-, compd. with 1,4-dioxane (1:1)
CAS No: 824951-03-3 Catalog No: AG004VCU MDL No:
Product Description
Catalog Number:
AG004VCU
Chemical Name:
9H-Xanthen-9-ol, 9-(1-naphthalenyl)-, compd. with 1,4-dioxane (1:1)
CAS Number:
824951-03-3
Molecular Formula:
C27H24O4
Molecular Weight:
412.4771
IUPAC Name:
1,4-dioxane;9-naphthalen-1-ylxanthen-9-ol
InChI:
InChI=1S/C23H16O2.C4H8O2/c24-23(18-13-7-9-16-8-1-2-10-17(16)18)19-11-3-5-14-21(19)25-22-15-6-4-12-20(22)23;1-2-6-4-3-5-1/h1-15,24H;1-4H2
InChI Key:
GRGVHLQBNPSKQM-UHFFFAOYSA-N
SMILES:
O1CCOCC1.OC1(c2ccccc2Oc2c1cccc2)c1cccc2c1cccc2
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.167g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
412.485g/mol
Monoisotopic Mass:
412.167g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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