2-(7-(Dimethylamino)-2-oxo-2H-chromen-4-yl)acetic acid

Catalog Number

ACM80883541-1

CAS

80883-54-1

Structure

Synonyms

7-Dimethylaminocoumarin-4-aceticacid

IUPAC Name

2-[7-(dimethylamino)-2-oxochromen-4-yl]aceticacid

Molecular Weight

247.25

Molecular Formula

C13H13NO4

Canonical SMILES

CN(C)C1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)O

InChI

InChI=1S/C13H13NO4/c1-14(2)9-3-4-10-8(5-12(15)16)6-13(17)18-11(10)7-9/h3-4,6-7H,5H2,1-2H3,(H,15,16)

InChI Key

HQMBLJOHUDYJLK-UHFFFAOYSA-N

Boiling Point

497.6 ± 45.0 °C

Melting Point

163.5 - 164.5 °C

Purity

≥95%

Density

1.334 ± 0.06 g/ml

Appearance

Powder or solid

Storage

-20 °C in the dark

• Catalog Number: ACM80883541-1
• CAS: 80883-54-1
• Synonyms: 7-Dimethylaminocoumarin-4-aceticacid
• IUPAC Name: 2-[7-(dimethylamino)-2-oxochromen-4-yl]aceticacid
• Molecular Weight: 247.25
• Molecular Formula: C13H13NO4
• Canonical SMILES: CN(C)C1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)O
• InChI: InChI=1S/C13H13NO4/c1-14(2)9-3-4-10-8(5-12(15)16)6-13(17)18-11(10)7-9/h3-4,6-7H,5H2,1-2H3,(H,15,16)
• InChI Key: HQMBLJOHUDYJLK-UHFFFAOYSA-N
• Boiling Point: 497.6 ± 45.0 °C
• Melting Point: 163.5 - 164.5 °C
• Purity: ≥95%
• Density: 1.334 ± 0.06 g/ml
• Appearance: Powder or solid
• Storage: -20 °C in the dark