M+B 6023
Basic information
- CAS
5804-06-8- Standard SMILES
CCCCCCCCOc1ccc(N)cc1COCC.Cc1ccc(C(=O)OC(C(=O)O)C(OC(=O)c2ccc(C)cc2)C(=O)O)cc1- InChIKey
FTESJXUTYOWRKR-UHFFFAOYSA-N- Molecular formula
- C37H47NO10
- Average molar mass
- 665.8 g/mol
- Monoisotopic mass
- 665.3199967
Names & identifiers
- Preferred name
- M+B 6023
- IUPAC
- 2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;3-(ethoxymethyl)-4-octoxyaniline
Names & synonyms
M+B 60235804-06-8M & B 6023RefChem:3514672,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;3-(ethoxymethyl)-4-octoxyanilineDTXSID209736212,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid--3-(ethoxymethyl)-4-(octyloxy)aniline (1/1)
Database identifiers
- CAS
5804-06-8- PubChem CID
- 201318
- DTXSID
DTXSID20973621
Properties
Computed structural properties
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 20
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 756
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Related reactions
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Compound notes
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