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114208-70-7 | Indeno[2,1-b]pyran-2(3H)-one, 4,9-dihydro-3-phenyl-
CAS No: 114208-70-7 Catalog No: AG000ATJ MDL No:
Product Description
Catalog Number:
AG000ATJ
Chemical Name:
Indeno[2,1-b]pyran-2(3H)-one, 4,9-dihydro-3-phenyl-
CAS Number:
114208-70-7
Molecular Formula:
C18H14O2
Molecular Weight:
262.3026
IUPAC Name:
3-phenyl-4,9-dihydro-3H-indeno[2,1-b]pyran-2-one
InChI:
InChI=1S/C18H14O2/c19-18-15(12-6-2-1-3-7-12)11-16-14-9-5-4-8-13(14)10-17(16)20-18/h1-9,15H,10-11H2
InChI Key:
BPPPHWGFPKNDEM-UHFFFAOYSA-N
SMILES:
O=C1OC2=C(CC1c1ccccc1)c1c(C2)cccc1
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.099g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.308g/mol
Monoisotopic Mass:
262.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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