Benz(a)anthracene
PubChem CID: 5954
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| Compound Synonyms | Benz[a]anthracene, Tetraphene, 56-55-3, 1,2-Benzanthracene, Benzo[a]anthracene, Benzanthrene, BENZ(A)ANTHRACENE, Benzanthracene, Naphthanthracene, Benzoanthracene, 2,3-Benzphenanthrene, 2,3-Benzophenanthrene, 1,2-Benzanthrene, 1,2-Benzanthrazen, Benzo(b)phenanthrene, 1,2-Benzoanthracene, Benzo(a)anthracene, Benzo[b]phenanthrene, RCRA waste number U018, 1,2-Benz(a)anthracene, CCRIS 69, NSC 30970, 1,2-Benz[a]anthracene, CHEBI:51348, HSDB 4003, EINECS 200-280-6, UNII-C5PLF6152K, C5PLF6152K, DTXSID5023902, AI3-50599, MFCD00003599, NSC-30970, DTXCID903902, NSC30970, Benz[a]anthracene 10 microg/mL in Cyclohexane, Benz[a]anthracene 10 microg/mL in Acetonitrile, Benz[a]anthracene 100 microg/mL in Acetonitrile, BENZ(A)ANTHRACENE (IARC), BENZ(A)ANTHRACENE [IARC], 1,2-Benzanthracene, Benz[a]anthracene, CAS-56-55-3, 1,2-Benzanthrazen [German], RCRA waste no. U018, Benzo anthracene, Benzo(a)anthrene, Benz(b)phenanthrene, 1,2-benzo anthracene, Benzo (a) anthrancene, B(a)A, Benz[a]anthracene, 99%, Epitope ID:119714, BIDD:ER0540, CHEMBL1873684, WLN: L D6 B666J, BENZ(A)ANTHRACENE [HSDB], MSK4304, 1,2-BENZANTHRACENE [MI], BENZ (a) ANTHRACENE (purity), Tox21_202060, Tox21_300499, AKOS008901282, Benz[a]anthracene, analytical standard, CS-W012994, FB16101, NCGC00164242-01, NCGC00164242-02, NCGC00164242-03, NCGC00164242-04, NCGC00254419-01, NCGC00259609-01, SY051558, B0017, NS00010721, H11746, 2,3-Benzophenanthrene, Benzoanthracene, NSC 30970, A831092, Q2442512, 805 - Polycyclic Aromatic Hydrocarbons (4 EU markers), Benz[a]anthracene, BCR(R) certified Reference Material, Benz[a]anthracene, certified reference material, TraceCERT(R), 200-280-6 |
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| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 294.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | benzo[a]anthracene |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 5.8 |
| Is Pains | False |
| Molecular Formula | C18H12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DXBHBZVCASKNBY-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Rotatable Bond Count | 0.0 |
| Compound Name | Benz(a)anthracene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 228.094 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 228.094 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 228.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.6242228 |
| Inchi | InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H |
| Smiles | C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C=C32 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Hispanica (Plant) Rel Props:Source_db:cmaup_ingredients