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338755-65-0

338755-65-0 | 6'-phenyl-2,4-dihydrospiro[1-benzopyran-3,3'-[1,5]dioxane]-4-one

CAS No: 338755-65-0 Catalog No: AG00IQH3 MDL No:MFCD00139868

Product Description

Catalog Number:
AG00IQH3
Chemical Name:
6'-phenyl-2,4-dihydrospiro[1-benzopyran-3,3'-[1,5]dioxane]-4-one
CAS Number:
338755-65-0
Molecular Formula:
C18H16O4
Molecular Weight:
296.3172
MDL Number:
MFCD00139868
IUPAC Name:
2-phenylspiro[1,3-dioxane-5,3'-2H-chromene]-4'-one
InChI:
InChI=1S/C18H16O4/c19-16-14-8-4-5-9-15(14)20-10-18(16)11-21-17(22-12-18)13-6-2-1-3-7-13/h1-9,17H,10-12H2
InChI Key:
KEMQCBLZIXZANK-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2OCC21COC(OC2)c1ccccc1

Properties

Complexity:
407  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.105g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.322g/mol
Monoisotopic Mass:
296.105g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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