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827313-95-1 | 4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-2-phenyl-, (2R)-
CAS No: 827313-95-1 Catalog No: AG00501X MDL No:
Product Description
Catalog Number:
AG00501X
Chemical Name:
4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-2-phenyl-, (2R)-
CAS Number:
827313-95-1
Molecular Formula:
C15H12O3
Molecular Weight:
240.2540
IUPAC Name:
(2R)-5-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C15H12O3/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10/h1-8,14,16H,9H2/t14-/m1/s1
InChI Key:
CRWQDRUCLPDWEK-CQSZACIVSA-N
SMILES:
O=C1C[C@@H](Oc2c1c(O)ccc2)c1ccccc1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
240.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.258g/mol
Monoisotopic Mass:
240.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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