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88101-53-5 | 1,10-Anthracenediol, diacetate
CAS No: 88101-53-5 Catalog No: AG004G7S MDL No:
Product Description
Catalog Number:
AG004G7S
Chemical Name:
1,10-Anthracenediol, diacetate
CAS Number:
88101-53-5
Molecular Formula:
C18H18O6
Molecular Weight:
330.3319
IUPAC Name:
acetic acid;anthracene-1,10-diol
InChI:
InChI=1S/C14H10O2.2C2H4O2/c15-13-7-3-6-11-12(13)8-9-4-1-2-5-10(9)14(11)16;2*1-2(3)4/h1-8,15-16H;2*1H3,(H,3,4)
InChI Key:
DTJRWXGBTILCPP-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1cc1ccccc1c2O.CC(=O)O.CC(=O)O
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.11g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
330.336g/mol
Monoisotopic Mass:
330.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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