Benz(a)anthracene-d16, 7,12-dimethyl-
Basic information
- CAS
32976-87-7- Standard SMILES
[2H]c1c([2H])c([2H])c2c(C([2H])([2H])[2H])c3c(c([2H])c([2H])c4c([2H])c([2H])c([2H])c([2H])c43)c(C([2H])([2H])[2H])c2c1[2H]- InChIKey
ARSRBNBHOADGJU-QRHMKPRTSA-N- Molecular formula
- C20H16
- Average molar mass
- 272.4 g/mol
- Monoisotopic mass
- 272.22562845
Names & identifiers
- Preferred name
- Benz(a)anthracene-d16, 7,12-dimethyl-
- IUPAC
- 1,2,3,4,5,6,8,9,10,11-decadeuterio-7,12-bis(trideuteriomethyl)benzo[a]anthracene
- English name
- 7,12-Di(2H3)methyl-[1,2,3,4,5,6,8,9,10,11-2H10]benz[a]anthracene
- Molecular formula
- C20H16
- Molecular weight
- 256.35
Names & synonyms
Benz(a)anthracene-d16, 7,12-dimethyl-32976-87-77,12-Dimethylbenz(a)anthracene, deuteratedCCRIS 18687,12-DIMETHYLBENZ[A]ANTHRACENE, DEUTERATED7,12-Dimethylbenz(a)anthracene-d16DTXSID001866167,12-Di(2H3)methyl-[1,2,3,4,5,6,8,9,10,11-2H10]benz[a]anthracene7,12-Bis[(~2~H_3_)methyl](~2~H_10_)tetraphene(2H16)(7,12-Dimethylbenz[a]anthracene)
Database identifiers
- CAS
32976-87-7- PubChem CID
- 6913060
- DTXSID
DTXSID00186616- Nikkaji
- J35.536D
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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