4-Methoxy-3,5-dimethylbenzoic acid
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4-Methoxy-3,5-dimethylbenzoic acid
structure -
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CAS No:
21553-46-8
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Formula:
C10H12O3
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Chemical Name:
4-Methoxy-3,5-dimethylbenzoic acid
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Synonyms:
Benzoic acid,4-methoxy-3,5-dimethyl-;p-Anisic acid,3,5-dimethyl-;4-Methoxy-3,5-dimethylbenzoic acid;3,5-Dimethyl-4-methoxybenzoic acid;3,5-Dimethyl-p-anisic acid
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CAS No:
4-Methoxy-3,5-dimethylbenzoic acid Basic Attributes
180.2
180.20
244-441-9
DTXSID70175890
2918990090
Characteristics
46.53000
2.01020
Off-White crystalline solid
1.1185
192-193 °C
253.02°C (rough estimate)
113.8ºC
1.5392 (estimate)
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.
0.00078mmHg at 25°C
4.61±0.10
Safety Information
UN 2811 6.1/PG 3
3
22-36
26-36
Xn
Stable under normal temperatures and pressures.
|Danger|H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:180.20
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:180.078644241
Monoisotopic Mass:180.078644241
Topological Polar Surface Area:46.5
Heavy Atom Count:13
Complexity:179
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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