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132899-03-7 | 1H-Naphtho[2,3-c]pyran-5,10-dione, 3,4-dihydro-3,7,9-trihydroxy-3-methyl- (9CI)
CAS No: 132899-03-7 Catalog No: AG0011CF MDL No:
Product Description
Catalog Number:
AG0011CF
Chemical Name:
1H-Naphtho[2,3-c]pyran-5,10-dione, 3,4-dihydro-3,7,9-trihydroxy-3-methyl- (9CI)
CAS Number:
132899-03-7
Molecular Formula:
C14H12O6
Molecular Weight:
276.2415
IUPAC Name:
3,7,9-trihydroxy-3-methyl-1,4-dihydrobenzo[g]isochromene-5,10-dione
InChI:
InChI=1S/C14H12O6/c1-14(19)4-8-9(5-20-14)13(18)11-7(12(8)17)2-6(15)3-10(11)16/h2-3,15-16,19H,4-5H2,1H3
InChI Key:
UOMAVGZJLAITCG-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c2c(c1)C(=O)C1=C(C2=O)COC(C1)(C)O
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.063g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
276.244g/mol
Monoisotopic Mass:
276.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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