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Basic information
- CAS
75231-20-8- Standard SMILES
COc1cc(C(=O)OCC[NH2+]C(=N)N)cc(OC)c1OC.[Cl-]- InChIKey
FLWLRYGIPPBOTH-UHFFFAOYSA-N- Molecular formula
- C13H20ClN3O5
- Average molar mass
- 333.77 g/mol
- Monoisotopic mass
- 333.1091484
Names & identifiers
- Preferred name
- Benzoic acid, 3,4,5-trimethoxy-, 2-guanidinoethyl ester, monohydrochloride
- IUPAC
- carbamimidoyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride
Names & synonyms
75231-20-8BENZOIC ACID, 3,4,5-TRIMETHOXY-, 2-GUANIDINOETHYL ESTER, MONOHYDROCHLORIDERefChem:10790133,4,5-Trimethoxybenzoic acid 2-guanidinoethyl ester monohydrochloride
Database identifiers
- CAS
75231-20-8- PubChem CID
- 53205
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
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Compound notes
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