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20870-04-6 | 4H-1-Benzopyran-4-one, 2-cyclohexyl-6-hydroxy-
CAS No: 20870-04-6 Catalog No: AG002JUV MDL No:
Product Description
Catalog Number:
AG002JUV
Chemical Name:
4H-1-Benzopyran-4-one, 2-cyclohexyl-6-hydroxy-
CAS Number:
20870-04-6
Molecular Formula:
C15H16O3
Molecular Weight:
244.2857
IUPAC Name:
2-cyclohexyl-6-hydroxychromen-4-one
InChI:
InChI=1S/C15H16O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h6-10,16H,1-5H2
InChI Key:
SONNBGUXBAGWSV-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)c(=O)cc(o2)C1CCCCC1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.29g/mol
Monoisotopic Mass:
244.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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