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101019-08-3 | 1-Propanone, 1-(3,4-dihydro-2H-1-benzopyran-6-yl)-3-phenyl-
CAS No: 101019-08-3 Catalog No: AG0003JN MDL No:
Product Description
Catalog Number:
AG0003JN
Chemical Name:
1-Propanone, 1-(3,4-dihydro-2H-1-benzopyran-6-yl)-3-phenyl-
CAS Number:
101019-08-3
Molecular Formula:
C18H18O2
Molecular Weight:
266.3343
IUPAC Name:
1-(3,4-dihydro-2H-chromen-6-yl)-3-phenylpropan-1-one
InChI:
InChI=1S/C18H18O2/c19-17(10-8-14-5-2-1-3-6-14)15-9-11-18-16(13-15)7-4-12-20-18/h1-3,5-6,9,11,13H,4,7-8,10,12H2
InChI Key:
ZNUUIHHLBDFCEL-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)CCCO2)CCc1ccccc1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.34g/mol
Monoisotopic Mass:
266.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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