Basic information
- CAS
220-77-9- Standard SMILES
c1ccc2c(c1)ccc1cc3c(ccc4c5ccccc5ccc34)cc12- InChIKey
IHQGFGQIOMWFFZ-UHFFFAOYSA-N- Molecular formula
- C26H16
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.12520051
Names & identifiers
- Preferred name
- Naphtho(1,2-b)chrysene
- IUPAC
- hexacyclo[12.12.0.02,11.05,10.016,25.017,22]hexacosa-1(26),2(11),3,5,7,9,12,14,16(25),17,19,21,23-tridecaene
- English name
- naphtho[1,2-b]chrysene
- Molecular formula
- C26H16
- Molecular weight
- 328.40524
Names & synonyms
Naphtho(1,2-b)chryseneNaphtho[1,2-b]chrysene220-77-9EINECS 205-925-5DTXSID40176430RefChem:164669DTXCID5098921205-925-5IHQGFGQIOMWFFZ-UHFFFAOYSA-NWF6KF9B8CKSCHEMBL4852029NS00027049
Database identifiers
- CAS
220-77-9- PubChem CID
- 67467
- DTXSID
DTXSID40176430- UNII
- WF6KF9B8CK
- EC Number
- 205-925-5
- Nikkaji
- J193.680H
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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