Basic information
- CAS
189-96-8- Standard SMILES
c1ccc2c(c1)ccc1c2cc2ccc3cccc4ccc1c2c34- InChIKey
VOIIGLOUBINLKK-UHFFFAOYSA-N- Molecular formula
- C24H14
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.10955045
Names & identifiers
- Preferred name
- Benzo(pqr)picene
- IUPAC
- hexacyclo[14.6.2.02,11.05,10.013,23.020,24]tetracosa-1(23),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
- English name
- benzo[pqr]picene
- Molecular formula
- C24H14
- Molecular weight
- 302.36796
Names & synonyms
benzo[pqr]piceneBENZO(PQR)PICENEnaphtho[2,1-a]pyreneNaphtho(2,1-a)pyreneNaphtho(3',4':3,4)pyreneEINECS 205-879-6DTXSID70172283RefChem:118254DTXCID6094774205-879-6VOIIGLOUBINLKK-UHFFFAOYSA-N189-96-8
Show more names
NAPHTHO[1,2-A]PYRENE
hexacyclo[14.6.2.02,11.05,10.013,23.020,24]tetracosa-1(23),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaeneNaphthol[2,1-a]pyreneSCHEMBL4847355NS00041483
Database identifiers
- CAS
189-96-8- PubChem CID
- 9111
- DTXSID
DTXSID70172283- EC Number
- 205-879-6
- Nikkaji
- J193.670K
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 480
Physicochemical properties
- Toxicity
- 5 mg/ · msc-hmn-lym 5 mg/ MUREAV 371,123,1996
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- msc-hmn-lym 5 mg/ MUREAV 371,123,1996
Chemistry & industry
Suppliers2 total
坛墨质检科技股份有限公司4008-099-669 · [email protected]
上海甄准生物科技有限公司15800340161 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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