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101019-06-1 | Ethanone, 1-(3,4-dihydro-2H-1-benzopyran-6-yl)-2-phenyl-
CAS No: 101019-06-1 Catalog No: AG0003JO MDL No:
Product Description
Catalog Number:
AG0003JO
Chemical Name:
Ethanone, 1-(3,4-dihydro-2H-1-benzopyran-6-yl)-2-phenyl-
CAS Number:
101019-06-1
Molecular Formula:
C17H16O2
Molecular Weight:
252.3077
IUPAC Name:
1-(3,4-dihydro-2H-chromen-6-yl)-2-phenylethanone
InChI:
InChI=1S/C17H16O2/c18-16(11-13-5-2-1-3-6-13)14-8-9-17-15(12-14)7-4-10-19-17/h1-3,5-6,8-9,12H,4,7,10-11H2
InChI Key:
ADCZFYKRNHMQGL-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)CCCO2)Cc1ccccc1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.115g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.313g/mol
Monoisotopic Mass:
252.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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