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68031-14-1

68031-14-1 | 2H-1-Benzopyran-2-one, 6-acetyl-5,7-dihydroxy-4-phenyl-

CAS No: 68031-14-1 Catalog No: AG006GEA MDL No:

Product Description

Catalog Number:
AG006GEA
Chemical Name:
2H-1-Benzopyran-2-one, 6-acetyl-5,7-dihydroxy-4-phenyl-
CAS Number:
68031-14-1
Molecular Formula:
C17H12O5
Molecular Weight:
296.2742
IUPAC Name:
6-acetyl-5,7-dihydroxy-4-phenylchromen-2-one
InChI:
InChI=1S/C17H12O5/c1-9(18)15-12(19)8-13-16(17(15)21)11(7-14(20)22-13)10-5-3-2-4-6-10/h2-8,19,21H,1H3
InChI Key:
PTFRPBDYRQWFPN-UHFFFAOYSA-N
SMILES:
O=c1oc2cc(O)c(c(c2c(c1)c1ccccc1)O)C(=O)C

Properties

Complexity:
491  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.068g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
296.278g/mol
Monoisotopic Mass:
296.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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