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116115-46-9 | 4H-1-Benzopyran-4-one, 2,3-dihydro-2-(2-methylphenyl)-
CAS No: 116115-46-9 Catalog No: AG000BO6 MDL No:
Product Description
Catalog Number:
AG000BO6
Chemical Name:
4H-1-Benzopyran-4-one, 2,3-dihydro-2-(2-methylphenyl)-
CAS Number:
116115-46-9
Molecular Formula:
C16H14O2
Molecular Weight:
238.2812
IUPAC Name:
2-(2-methylphenyl)-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C16H14O2/c1-11-6-2-3-7-12(11)16-10-14(17)13-8-4-5-9-15(13)18-16/h2-9,16H,10H2,1H3
InChI Key:
DGJSVCBNQTUXGU-UHFFFAOYSA-N
SMILES:
Cc1ccccc1C1CC(=O)c2c(O1)cccc2
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.099g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.286g/mol
Monoisotopic Mass:
238.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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