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129-68-0 | Aceanthryleno[2,1-a]aceanthrylene-5,13-dione
CAS No: 129-68-0 Catalog No: AG000YR9 MDL No:
Product Description
Catalog Number:
AG000YR9
Chemical Name:
Aceanthryleno[2,1-a]aceanthrylene-5,13-dione
CAS Number:
129-68-0
Molecular Formula:
C30H14O2
Molecular Weight:
406.4310
IUPAC Name:
octacyclo[15.11.1.13,11.02,16.04,9.018,23.025,29.015,30]triaconta-1(29),2,4,6,8,11,13,15(30),16,18,20,22,25,27-tetradecaene-10,24-dione
InChI:
InChI=1S/C30H14O2/c31-29-17-9-3-1-7-15(17)25-23-19(11-5-13-21(23)29)28-26-16-8-2-4-10-18(16)30(32)22-14-6-12-20(24(22)26)27(25)28/h1-14H
InChI Key:
NUNPDAMQSBMCIG-UHFFFAOYSA-N
SMILES:
O=c1c2cccc3c2c(c2c1cccc2)c1c3c2c3c1cccc3c(=O)c1c2cccc1
EC Number:
204-960-3
Properties
Complexity:
889
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.099g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.44g/mol
Monoisotopic Mass:
406.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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