COC1=CC(=CC(=C1OC)OC)C(=O)O
CAS: 118-41-2
Name: 3,4,5-trimethoxybenzoic acid
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)O

Molecular Processing

Molecular formula
C10H12O5
Molecular weight
212.2
Exact mass
212.0685
XLogP
1.41
TPSA
64.99
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
15
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
0.3
Molar refractivity
53.06

Supplementary Information

InChIKey: SJSOFNCYXJUNBT-UHFFFAOYSA-N
Synonyme
3,4,5-TRIMETHOXYBENZOIC ACID118-41-2Eudesmic acidGallic acid trimethyl etherTrimethylgallic acidTri-O-methylgallic acidBenzoic acid, 3,4,5-trimethoxy-V5C9H0SC9FNSC-2525DTXSID3059472CHEBI:454991RefChem:90933DTXCID3033432204-248-2Veratric acid, 5-methoxy-3,4,5-Trimethoxy Benzoic AcidNSC 2525MFCD000025013,4,5-trimethoxy-benzoic acid5-methoxy-veratric acidNSC2525Trimethoprim EP Impurity JUNII-V5C9H0SC9FTrimethylgallicacidH5ATrimebutine Imp. B (EP); Trimethoprim Imp. J (EP); 3,4,5-Trimethoxybenzoic Acid; Trimebutine Maleate Impurity B; Trimethoprim Impurity JEINECS 204-248-2Spectrum_000082SpecPlus_000919AI3-21153
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