2-Acetoacetylaminobenzoic acid
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2-Acetoacetylaminobenzoic acid
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CAS No:
35354-86-0
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Formula:
C11H11NO4
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Chemical Name:
2-Acetoacetylaminobenzoic acid
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Synonyms:
Benzoic acid,2-[(1,3-dioxobutyl)amino]-;Anthranilic acid,N-acetoacetyl-;2-[(1,3-Dioxobutyl)amino]benzoic acid;2-Acetoacetylaminobenzoic acid;2-Acetoacetaminobenzoic acid;Acetoacetanilide-2′-carboxylic acid;2-(Acetoacetamido)benzoic acid;o-Carboxyacetoacetanilide;o-Acetoacetamidobenzoic acid;o-Acetoacetylaminobenzoic acid;2-(3-Oxobutanamido)benzoic acid;2-(3-Oxobutanoylamino)benzoic acid
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CAS No:
Safety Information
III
6.1
UN 3439 6.1/PG 3
3
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . R36/37/38:Irritating to eyes, respiratory system and skin .
S26-S37/39-S36/37/39
Xn,T,Xi
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
H315
Not Classified
Computed Properties
Molecular Weight:221.21
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:221.06880783
Monoisotopic Mass:221.06880783
Topological Polar Surface Area:83.5
Heavy Atom Count:16
Complexity:300
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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