Clausine I

Catalog Number	ACM182261945
CAS Number	182261-94-5
Structure
Synonyms	1-Hydroxy-6-methoxy-9H-carbazole-3-carboxaldehyde
IUPAC Name	1-hydroxy-6-methoxy-9H-carbazole-3-carbaldehyde
Molecular Weight	241.24
Molecular Formula	C14H11NO3
Canonical SMILES	COC1=CC2=C(C=C1)NC3=C2C=C(C=C3O)C=O
InChI	InChI=1S/C14H11NO3/c1-18-9-2-3-12-10(6-9)11-4-8(7-16)5-13(17)14(11)15-12/h2-7,15,17H,1H3
InChI Key	AMRVXYRVPBLMCN-UHFFFAOYSA-N
Boiling Point	515.3±45.0 °C
Melting Point	222-223 °C
Purity	98%
Density	1.418±0.06 g/ml
Appearance	Solid
Complexity	322
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	241.07389321
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Monoisotopic Mass	241.07389321
PhysicalState	Powder
Rotatable Bond Count	2
Topological Polar Surface Area	62.3 Ų

Custom Q&A

What is the chemical formula of Clausine I?

The chemical formula of Clausine I is C14H11NO3.

What is the molecular weight of Clausine I?

The molecular weight of Clausine I is 241.24 g/mol.

What is the melting point of Clausine I?

The melting point of Clausine I is 222-223 °C.

What is the boiling point of Clausine I predicted to be?

The boiling point of Clausine I is predicted to be 515.3±45.0 °C.

What is the density of Clausine I predicted to be?

The density of Clausine I is predicted to be 1.418±0.06 g/cm3.

What is the pka value of Clausine I predicted to be?

The pka value of Clausine I is predicted to be 9.38±0.30.

Are there any synonyms for Clausine I?

Yes, the synonyms for Clausine I include 1-Hydroxy-6-methoxy-9H-carbazole-3-carboxaldehyde and 9H-Carbazole-3-carboxaldehyde, 1-hydroxy-6-methoxy-.

What is the CAS number of Clausine I?

The CAS number of Clausine I is 182261-94-5.

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