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Chrysene-2-carbaldehyde (HCID 15599322)|Huagongshe
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Compound
Chrysene-2-carbaldehyde
HCID
15599322
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
O=Cc1ccc2c(ccc3c4ccccc4ccc23)c1
InChIKey
CDXDDCZYFQXEDN-UHFFFAOYSA-N
Molecular formula
C19H12O
Average molar mass
256.3 g/mol
Names & identifiers
Preferred name
Chrysene-2-carbaldehyde
IUPAC
chrysene-2-carbaldehyde
Names & synonyms
2chrysal
chrysene-2-carbaldehyde
SCHEMBL10484075
CDXDDCZYFQXEDN-UHFFFAOYSA-N
Database identifiers
PubChem CID
15599322
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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Show all 8 / 8
Related reactions
10 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
1193741
As product
uspto-grants-1989_03
HRID
1193742
As reactant
uspto-grants-1989_03
HRID
1762016
As product
uspto-grants-1989_05
HRID
1762017
As reactant
uspto-grants-1989_05
HRID
2335180
As product
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
HRID
2343216
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
HRID
2413572
As product
uspto-grants-1988_01
HRID
2413573
As reactant
uspto-grants-1988_01
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