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Chrysene-3-carbaldehyde (HCID 15599326)|Huagongshe
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Compound
Chrysene-3-carbaldehyde
HCID
15599326
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
O=Cc1ccc2ccc3c4ccccc4ccc3c2c1
InChIKey
JKNYUTDCSRRCKF-UHFFFAOYSA-N
Molecular formula
C19H12O
Average molar mass
256.3 g/mol
Names & identifiers
Preferred name
Chrysene-3-carbaldehyde
IUPAC
chrysene-3-carbaldehyde
Names & synonyms
chrysene-3-carbaldehyde
SCHEMBL10484322
JKNYUTDCSRRCKF-UHFFFAOYSA-N
Database identifiers
PubChem CID
15599326
Properties
Computed structural properties
XLogP
5.1
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
20
Formal charge
0
Complexity
363
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Related reactions
10 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
687698
As product
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
1193738
As product
uspto-grants-1989_03
HRID
1193739
As reactant
uspto-grants-1989_03
HRID
1228357
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
1762013
As product
uspto-grants-1989_05
HRID
1762014
As reactant
uspto-grants-1989_05
HRID
2413569
As product
uspto-grants-1988_01
HRID
2413570
As reactant
uspto-grants-1988_01
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