Muconic acid
Properties
- Molecular formula
- C6H6O4
- Molar mass
- 142.11 g/mol
- Exact mass
- 142.0266 Da
- Melting point
- 301 °C
- logP
- 0.27Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 3
- Double bonds
- E, EE/Z, in SMILES order
Hazards
Warning
- H315 Causes skin irritation94% of notifiers
- H319 Causes serious eye irritation94% of notifiers
- H335 May cause respiratory irritation92% of notifiers
Aggregated from 50 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
3588-17-8SMILES
O=C(O)/C=C/C=C/C(=O)OInChIKey
TXXHDPDFNKHHGW-ZPUQHVIOSA-NInChI
InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1+,4-2+Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 2,4-Hexadienedioic acid, (2E,4E)-
- 2,4-Hexadienedioic acid, (E,E)-
- (2E,4E)-2,4-Hexadienedioic acid
- Trans,trans-Muconic acid
- (E,E)-Muconic acid
- NSC 66486
- Trans,trans-2,4-Hexadienedioic acid
- (E,E)-1,3-Butadiene-1,4-dicarboxylic acid
Reactions
Work with Muconic acid
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Sorbic acid110-44-174 % similar
Maleic acid110-16-773 % similar
Fumaric acid110-17-873 % similar
Poly(maleic acid)26099-09-273 % similar
2,4-Pentadienoic acid626-99-365 % similar
Crotonic acid107-93-758 % similar
Crotonic acid3724-65-058 % similar
5-Phenyl-2,4-pentadienoic acid1552-94-954 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds