3,5-Dimethoxybenzoic acid
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3,5-Dimethoxybenzoic acid
structure -
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CAS No:
1132-21-4
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Formula:
C9H10O4
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Chemical Name:
3,5-Dimethoxybenzoic acid
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Synonyms:
Benzoic acid,3,5-dimethoxy-;3,5-Dimethoxybenzoic acid;NSC 43744;NSC 8514
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CAS No:
Description
3,5-Dimethoxybenzoic acid, isolated from Melia azedarach L. leaves with antifungal activity, is an intermediate in organic synthesis[1].
3,5-dimethoxybenzoic acid is a methoxybenzoic acid that is benzoic acid which is substituted by methoxy groups at positions 3 and 5. It has a role as a plant metabolite. It is a conjugate acid of a 3,5-dimethoxybenzoate.
3,5-Dimethoxybenzoic acid Basic Attributes
182.17
182.17
214-473-8
38MY78ECKK
43744|8514
DTXSID3061550
2918990090
Characteristics
55.8
2.2
white to off-white crystalline powder
1.2±0.1 g/cm3
185.5 °C
181ºC
138.9±15.8 °C
1.533
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
1.38e-07 mmHg
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S36
Xi:Irritant
Stable under normal temperatures and pressures.
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:182.17
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:182.05790880
Monoisotopic Mass:182.05790880
Topological Polar Surface Area:55.8
Heavy Atom Count:13
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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