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126266-82-8 | Methanone, 4H-1,3-benzodioxin-6-ylphenyl-
CAS No: 126266-82-8 Catalog No: AG000SG8 MDL No:
Product Description
Catalog Number:
AG000SG8
Chemical Name:
Methanone, 4H-1,3-benzodioxin-6-ylphenyl-
CAS Number:
126266-82-8
Molecular Formula:
C15H12O3
Molecular Weight:
240.2540
IUPAC Name:
4H-1,3-benzodioxin-6-yl(phenyl)methanone
InChI:
InChI=1S/C15H12O3/c16-15(11-4-2-1-3-5-11)12-6-7-14-13(8-12)9-17-10-18-14/h1-8H,9-10H2
InChI Key:
KCASBLURSLOWEG-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)COCO2)c1ccccc1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.258g/mol
Monoisotopic Mass:
240.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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