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88853-90-1 | 1H-Phenalen-1-one, 3,4,7,8,9-pentahydroxy-2-methoxy-6-methyl-
CAS No: 88853-90-1 Catalog No: AG0049ZI MDL No:
Product Description
Catalog Number:
AG0049ZI
Chemical Name:
1H-Phenalen-1-one, 3,4,7,8,9-pentahydroxy-2-methoxy-6-methyl-
CAS Number:
88853-90-1
Molecular Formula:
C15H12O7
Molecular Weight:
304.2516
IUPAC Name:
4,5,6,7,9-pentahydroxy-8-methoxy-3-methylphenalen-1-one
InChI:
InChI=1S/C15H12O7/c1-4-3-5(16)7-8-6(4)10(17)14(21)11(18)9(8)13(20)15(22-2)12(7)19/h3,17-21H,1-2H3
InChI Key:
KIYMBSNONUBRNL-UHFFFAOYSA-N
SMILES:
COC1=C(O)c2c(O)cc(c3c2c(C1=O)c(O)c(c3O)O)C
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.058g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
304.254g/mol
Monoisotopic Mass:
304.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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