1,2-Benzisoxazole-3-acetic acid
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1,2-Benzisoxazole-3-acetic acid
structure -
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CAS No:
4865-84-3
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Formula:
C9H7NO3
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Chemical Name:
1,2-Benzisoxazole-3-acetic acid
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Synonyms:
1,2-Benzisoxazole-3-acetic acid;1,2-Benzisoxazol-3-ylacetic acid;NSC 179803;(Benzo[d]isoxazol-3-yl)acetic acid;2-(Benzisoxazol-3-yl)acetic acid;Benzisoxazol-3-ylacetic acid;2-(Benzo[d]isoxazol-3-yl)acetic acid;(1,2-Benzoxazol-3-yl)acetic acid;2-(1,2-Benzoxazol-3-yl)acetic acid;2-(1,2-Benzisoxazol-3-yl)acetic acid
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CAS No:
1,2-Benzisoxazole-3-acetic acid Basic Attributes
177.16
177.16
610-430-6
179803
DTXSID80306794
29349990
Safety Information
IRRITANT
36/37/38
26-37/39
Xi
Irritant
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:177.16
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:177.042593085
Monoisotopic Mass:177.042593085
Topological Polar Surface Area:63.3
Heavy Atom Count:13
Complexity:207
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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