Coumalic acid
Properties
- Molecular formula
- C6H4O4
- Molar mass
- 140.09 g/mol
- Exact mass
- 140.0110 Da
- Melting point
- 207.5 °C (decomposes)
- logP
- 0.34Crippen estimate
- Polar surface area
- 67.5 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
500-05-0SMILES
O=C(O)c1ccc(=O)oc1InChIKey
ORGPJDKNYMVLFL-UHFFFAOYSA-NInChI
InChI=1S/C6H4O4/c7-5-2-1-4(3-10-5)6(8)9/h1-3H,(H,8,9)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- 2H-Pyran-5-carboxylic acid, 2-oxo-
- Glutaconic acid, 4-(hydroxymethylene)-, δ-lactone
- 2-Oxo-2H-pyran-5-carboxylic acid
- Cumalic acid
- 2-Oxo-1(2H)-pyran-5-carboxylic acid
- α-Pyrone-5-carboxylic acid
- 2-Pentenedioic acid, 4-(hydroxymethylene)-, δ-lactone
- 2-Oxopyran-5-carboxylic acid
- NSC 22978
Reactions
Work with Coumalic acid
Similar compounds
Terephthalic acid100-21-054 % similar
3-Furancarboxylic acid488-93-752 % similar
Methyl coumalate6018-41-351 % similar
6-Carboxycoumarin7734-80-751 % similar
Tetrakis(4-carboxyphenyl)ethylene1351279-73-648 % similar
[P-Terphenyl]-4,4''-dicarboxylic acid13653-84-448 % similar
[1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-248 % similar
Protocatechuic acid99-50-345 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds