4-(1,1-Dimethylethyl)-3-methoxybenzoic acid
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4-(1,1-Dimethylethyl)-3-methoxybenzoic acid
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CAS No:
79822-46-1
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Formula:
C12H16O3
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Chemical Name:
4-(1,1-Dimethylethyl)-3-methoxybenzoic acid
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Synonyms:
Benzoic acid,4-(1,1-dimethylethyl)-3-methoxy-;m-Anisic acid,4-tert-butyl-;4-(1,1-Dimethylethyl)-3-methoxybenzoic acid;4-tert-Butyl-3-methoxybenzoic acid;3-Methoxy-4-t-butylbenzoic acid;3-Methoxy-4-tert-butyl-Benzoic acid;3-Methoxy-4-tert-butylbenzoicacid
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CAS No:
4-(1,1-Dimethylethyl)-3-methoxybenzoic acid Basic Attributes
208.25
208.25
DTXSID20508593
2918990090
Characteristics
46.53000
2.69090
white Solid
1.080±0.06 g/cm3
150-151 °C
334.7±35.0 °C(Predicted)
125.2ºC
1.516
4.28±0.10
Safety Information
36/37/38-51/53-22
26-36/37/39-61
Xi,N,Xn
|Warning|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P301+P312, P330, P391, 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:208.25
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:208.109944368
Monoisotopic Mass:208.109944368
Topological Polar Surface Area:46.5
Heavy Atom Count:15
Complexity:230
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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