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Home > Other Heterocycles > 78843-45-5
78843-45-5 | 2,7-diphenyl-1,6-dioxadispiro(2.1.2.3)decan-4-one
CAS No: 78843-45-5 Catalog No: AG00553L MDL No:
Product Description
Catalog Number:
AG00553L
Chemical Name:
2,7-diphenyl-1,6-dioxadispiro(2.1.2.3)decan-4-one
CAS Number:
78843-45-5
Molecular Formula:
C20H18O3
Molecular Weight:
306.3551
IUPAC Name:
1,7-diphenyl-2,6-dioxadispiro[2.1.25.33]decan-4-one
InChI:
InChI=1S/C20H18O3/c21-18-19(16(22-19)14-8-3-1-4-9-14)12-7-13-20(18)17(23-20)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2
InChI Key:
TXKVEGUNGXTFQX-UHFFFAOYSA-N
SMILES:
O=C1C2(CCCC31OC3c1ccccc1)OC2c1ccccc1
NSC Number:
56226
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.126g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.361g/mol
Monoisotopic Mass:
306.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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