Chemical Properties of 2H-1-Benzopyran-2-one, 6-amino- (CAS 14415-44-2)

InChI

InChI=1S/C9H7NO2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,10H2

InChI Key

ZOJAINJCZSVZGW-UHFFFAOYSA-N

Formula

C9H7NO2

SMILES

Nc1ccc2oc(=O)ccc2c1

Molecular Weight¹

161.16

CAS

14415-44-2

Other Names

• Coumarin, 6-amino-
• 6-Amino-1,2-benzopyrone
• 6-Aminocoumarin

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-6.07		Crippen Calculated Property
logPoct/wat	1.375		Crippen Calculated Property
McVol	116.170	ml/mol	McGowan Calculated Property
Inp	[1806.00; 1880.00]
Inp	1806.00		NIST
Inp	1816.00		NIST
Inp	1872.00		NIST
Inp	1880.00		NIST
Inp	1806.00		NIST

Similar Compounds

Find more compounds similar to 2H-1-Benzopyran-2-one, 6-amino-.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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