3-Acetamidobenzoic acid
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3-Acetamidobenzoic acid
structure -
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CAS No:
587-48-4
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Formula:
C9H9NO3
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Chemical Name:
3-Acetamidobenzoic acid
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Synonyms:
Benzoic acid,3-(acetylamino)-;Benzoic acid,m-acetamido-;3-(Acetylamino)benzoic acid;m-Acetylaminobenzoic acid;3-Acetamidobenzoic acid;1-Acetylamino-3-carboxybenzene;3-Acetylaminobenzoic acid;NSC 4001;861510-59-0
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CAS No:
3-Acetamidobenzoic acid Basic Attributes
179.17
179.17
2210867
209-600-9
4001
DTXSID2060418
2924299090
Characteristics
66.4
1.32
Beige Powder
1.3±0.1 g/cm3
240-245 °C
444.1±28.0 °C at 760 mmHg
222.4±24.0 °C
1.620
Safety Information
NONH for all modes of transport
1
36/37/38
26-36
Xi
P261-P305 + P351 + P338
H315-H319-H335
|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 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:179.17
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:179.058243149
Monoisotopic Mass:179.058243149
Topological Polar Surface Area:66.4
Heavy Atom Count:13
Complexity:215
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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