CAS: 99-24-1
이름: methyl 3,4,5-trihydroxybenzoate
SMILES:
COC(=O)C1=CC(=C(C(=C1)O)O)OMolecular Processing
Molecular formula
C8H8O5
Molecular weight
184.15
Exact mass
184.0372
XLogP
0.59
TPSA
86.99
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
42.78
Supplementary Information
InChIKey: FBSFWRHWHYMIOG-UHFFFAOYSA-N
동의어
METHYL GALLATEMethyl 3,4,5-trihydroxybenzoate99-24-1Gallic acid methyl esterMethylgallateBenzoic acid, 3,4,5-trihydroxy-, methyl esterGallic acid, methyl esterDTXSID3059189623D3XG80CNSC-363001CHEBI:145828RefChem:42732DTXCID8049098202-741-7GallicinMFCD000021943,4,5-Trihydroxybenzoic acid methyl esterGALLINCINAI3-00861CHEMBL656753,4,5-Trihydroxy-benzoic acid methyl esterNSC363001CCRIS 5567EINECS 202-741-7NSC 363001BRN 2113180methyl galloateUNII-623D3XG80Cmethyl-3,4,5-trihydroxybenzoate4-methyl gallate
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