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Benzene-1,2,3-tricarboxylic acid, triethyl ester

HCID 180551
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
56366-05-3
Standard SMILES
CCOC(=O)c1cccc(C(=O)OCC)c1C(=O)OCC
InChIKey
VSBZHJQRHZBXRY-UHFFFAOYSA-N
Molecular formula
C15H18O6
Average molar mass
294.3 g/mol
Monoisotopic mass
294.11033829

Names & identifiers

Preferred name
Benzene-1,2,3-tricarboxylic acid, triethyl ester
IUPAC
triethyl benzene-1,2,3-tricarboxylate

Names & synonyms

Triethyl benzene-1,2,3-tricarboxylateBenzene-1,2,3-tricarboxylic acid, triethyl ester56366-05-3DTXSID90204919RefChem:323981DTXCID70127410tricarbethoxybenzeneSCHEMBL560709SCHEMBL1452663

Database identifiers

CAS
56366-05-3
PubChem CID
180551
DTXSID
DTXSID90204919
Nikkaji
J253.685D

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
78.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
21
Formal charge
0
Complexity
352

Related reactions

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Compound notes

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