3-Chloro-cis-muconic acid
Basic information
- CAS
76799-83-2- Standard SMILES
O=C(O)/C=C\C(Cl)=C\C(=O)O- InChIKey
ICMVYBXQDUXEEE-LOKDLIDFSA-N- Molecular formula
- C6H5ClO4
- Average molar mass
- 176.55 g/mol
- Monoisotopic mass
- 175.9876363
Overview
(Z,Z)-3-chloromuconic acid is a 3-chloromuconic acid. It is functionally related to a cis,trans-muconic acid.
Names & identifiers
- Preferred name
- 3-Chloro-cis-muconic acid
- IUPAC
- (2Z,4Z)-3-chlorohexa-2,4-dienedioic acid
Names & synonyms
3-Chloro-cis-muconic acid(2Z,4Z)-3-chlorohexa-2,4-dienedioic acid(Z,Z)-3-chloromuconic acid(Z,Z)-3-Chloro-2,4-hexadienedioic acid76799-83-22,4-HEXADIENEDIOIC ACID, 3-CHLORO-, (Z,Z)-cis-3-chloromuconic acidSCHEMBL29183573CHEBI:38435DTXSID601277113LMFA01090149(2Z,4Z)-3-Chloro-2,4-hexadienedioic acid
Show more names
Q27117849(Z,Z)-3-chloro-2,4-hexadienedioic acid;3-chloro-cis-muconic acid
Database identifiers
- CAS
76799-83-2- PubChem CID
- 6435348
- DTXSID
DTXSID601277113- ChEBI
CHEBI:38435- Nikkaji
- J59.799F
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 229
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Halogenated fatty acids [FA0109]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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