500-05-0
Product Name:
Coumalic acid
Formula:
C6H4O4
Synonyms:
2-Oxo-2H-pyran-5-carboxylic acid;2-Pyrone-5-carboxylic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Bright yellow solid; [Merck Index] Pale yellow or light brown powder; [Alfa Aesar MSDS] |
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Chemical Classes | Other Classes -> Organic Acids |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
Molecular Weight | 140.09 g/mol |
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XLogP3 | 0 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 1 |
Exact Mass | 140.01095860 g/mol |
Monoisotopic Mass | 140.01095860 g/mol |
Topological Polar Surface Area | 63.6 Ų |
Heavy Atom Count | 10 |
Formal Charge | 0 |
Complexity | 236 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Coumalic acid is a pyranone.