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113476-62-3 | 2,10-Phenanthrenediol, 5,6,7-trimethoxy-, 2,10-diacetate
CAS No: 113476-62-3 Catalog No: AG0008PP MDL No:
Product Description
Catalog Number:
AG0008PP
Chemical Name:
2,10-Phenanthrenediol, 5,6,7-trimethoxy-, 2,10-diacetate
CAS Number:
113476-62-3
Molecular Formula:
C21H20O7
Molecular Weight:
384.3793
IUPAC Name:
acetic acid;5,6,7-trimethoxyphenanthrene-2,10-diol
InChI:
InChI=1S/C17H16O5.2C2H4O2/c1-20-14-7-9-6-13(19)12-8-10(18)4-5-11(12)15(9)17(22-3)16(14)21-2;2*1-2(3)4/h4-8,18-19H,1-3H3;2*1H3,(H,3,4)
InChI Key:
RRAINWPANZDFSJ-UHFFFAOYSA-N
SMILES:
COc1c(OC)c(OC)cc2c1c1ccc(cc1c(c2)OC(=O)C)OC(=O)C
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.142g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
420.414g/mol
Monoisotopic Mass:
420.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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