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16654-23-2 | 3,5-Phenanthrenediol, 6-methoxy-, 3,5-diacetate
CAS No: 16654-23-2 Catalog No: AG001WU3 MDL No:
Product Description
Catalog Number:
AG001WU3
Chemical Name:
3,5-Phenanthrenediol, 6-methoxy-, 3,5-diacetate
CAS Number:
16654-23-2
Molecular Formula:
C19H16O5
Molecular Weight:
324.3273
IUPAC Name:
acetic acid;6-methoxyphenanthrene-3,5-diol
InChI:
InChI=1S/C15H12O3.2C2H4O2/c1-18-13-7-5-10-3-2-9-4-6-11(16)8-12(9)14(10)15(13)17;2*1-2(3)4/h2-8,16-17H,1H3;2*1H3,(H,3,4)
InChI Key:
SZJKREKOTFZMBG-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1OC(=O)C)c1cc(ccc1cc2)OC(=O)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.121g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
360.362g/mol
Monoisotopic Mass:
360.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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