anthracene-9,10-dicarbaldehyde;dihydrochloride

C16H12Cl2O2 — CID 19762841

IUPACanthracene-9,10-dicarbaldehyde;dihydrochloride
SMILESCl.Cl.O=Cc1c2ccccc2c(C=O)c2ccccc12
InChIInChI=1S/C16H10O2.2ClH/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15;;/h1-10H;2*1H
InChIKeyZJZODPNCHRCUHS-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.46
Rot. Bonds2

About anthracene-9,10-dicarbaldehyde;dihydrochloride

anthracene-9,10-dicarbaldehyde;dihydrochloride (PubChem CID 19762841) has the molecular formula C16H12Cl2O2 and a molecular weight of 307.18 g/mol. Its IUPAC name is anthracene-9,10-dicarbaldehyde;dihydrochloride.

Molecular Properties

Compound Nameanthracene-9,10-dicarbaldehyde;dihydrochloride
PubChem CID19762841
Molecular FormulaC16H12Cl2O2
Molecular Weight307.18 g/mol
Exact Mass306.02
IUPAC Nameanthracene-9,10-dicarbaldehyde;dihydrochloride
SMILESCl.Cl.O=Cc1c2ccccc2c(C=O)c2ccccc12
InChIInChI=1S/C16H10O2.2ClH/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15;;/h1-10H;2*1H
InChIKeyZJZODPNCHRCUHS-UHFFFAOYSA-N
XLogP4.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of anthracene-9,10-dicarbaldehyde;dihydrochloride?
The IUPAC name of anthracene-9,10-dicarbaldehyde;dihydrochloride (CID 19762841) is anthracene-9,10-dicarbaldehyde;dihydrochloride.
What is the SMILES notation for anthracene-9,10-dicarbaldehyde;dihydrochloride?
The canonical SMILES for anthracene-9,10-dicarbaldehyde;dihydrochloride is Cl.Cl.O=Cc1c2ccccc2c(C=O)c2ccccc12.
What is the InChIKey of anthracene-9,10-dicarbaldehyde;dihydrochloride?
The InChIKey is ZJZODPNCHRCUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O2.2ClH/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15;;/h1-10H;2*1H.
What are the key properties of anthracene-9,10-dicarbaldehyde;dihydrochloride?
anthracene-9,10-dicarbaldehyde;dihydrochloride has a molecular weight of 307.18 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-9,10-dicarbaldehyde;dihydrochloride is sourced from PubChem (CID 19762841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).