2-(Acetyloxy)-3-methylbenzoic acid
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2-(Acetyloxy)-3-methylbenzoic acid
structure -
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CAS No:
4386-39-4
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Formula:
C10H10O4
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Chemical Name:
2-(Acetyloxy)-3-methylbenzoic acid
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Synonyms:
Benzoic acid,2-(acetyloxy)-3-methyl-;2,3-Cresotic acid,acetate;2-(Acetyloxy)-3-methylbenzoic acid;Acetyl-o-cresotic acid;Cresopirine;AGN 357;2-Acetoxy-3-methylbenzoic acid;NSC 49105;Cresopyrine
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CAS No:
2-(Acetyloxy)-3-methylbenzoic acid Basic Attributes
194.18
194.18
224-499-1
2G83E641HZ
49105
DTXSID40195964
2918990090
Characteristics
63.60000
1.61850
1.245g/cm3
113 °C
324.5ºC at 760mmHg
128.2ºC
1.545
129.1 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Safety Information
R36/37/38
S26-S37/39
Xi
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:194.18
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:194.05790880
Monoisotopic Mass:194.05790880
Topological Polar Surface Area:63.6
Heavy Atom Count:14
Complexity:236
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-(Acetyloxy)-3-methylbenzoic acid
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