1,2-Acenaphthylenedione
PubChem CID: 6724
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| Compound Synonyms | Acenaphthenequinone, 82-86-0, acenaphthylene-1,2-dione, Acenaphthoquinone, 1,2-ACENAPHTHYLENEDIONE, Acenaphthenedione, 1,2-Acenaphthenequinone, 1,2-Acenaphthenedione, Acenaphthaquinone, Acenaphthylenequinone, Acenaphthylene-1,2-quinone, acenaphthodione, diketoacenaphthene, 1,2-Diketoacenaphthene, acenaphthylenedione, acenaphthene quinone, MFCD00003805, CCRIS 5318, acenaphthene-1,2-dione, CHEBI:15342, Acenaphthequinone, HSDB 2660, NSC 7656, EINECS 201-441-3, BRN 0879172, 3950D6UEIQ, DTXSID7049429, NSC-7656, 1,2-dihydroacenaphthylene-1,2-dione, DTXCID6029389, 4-07-00-02498 (Beilstein Handbook Reference), acenaphthenchinon, ACQ, UNII-3950D6UEIQ, acenaphtoquinone, acenaphtenquinone, 1,2Acenaphthenequinone, 1,2-Acenaphthalenedione, Acenaphthylene1,2quinone, acenaphthene-1,2-quinone, Epitope ID:116186, MLS000705880, SCHEMBL141538, 1,2-dihydroacenaphthylenedione, CHEMBL395653, BDBM22853, NSC7656, 1,2-Dione-Based Compound, 10, HMS2583D13, HMS3749K15, Tox21_202947, BBL011021, STK802161, AKOS000120366, CS-W017119, FA40598, CAS-82-86-0, NCGC00247177-01, NCGC00260493-01, AS-14620, BP-13440, SMR000225434, SY011135, DB-005405, A0004, NS00041019, EN300-20210, C02807, Q2739953, F1908-0136, Z104477294, InChI=1/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6, 201-441-3 |
|---|---|
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 267.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | acenaphthylene-1,2-dione |
| Prediction Hob | 1.0 |
| Target Id | NPT166, NPT439, NPT57, NPT203 |
| Xlogp | 1.9 |
| Molecular Formula | C12H6O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AFPRJLBZLPBTPZ-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -4.543 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.65 |
| Compound Name | 1,2-Acenaphthylenedione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 182.037 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.037 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 182.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7265750285714283 |
| Inchi | InChI=1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H |
| Smiles | C1=CC2=C3C(=C1)C(=O)C(=O)C3=CC=C2 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients