3-AMINO-3-METHYL-BUTYRIC ACID
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3-AMINO-3-METHYL-BUTYRIC ACID
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CAS No:
386715-46-4
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Formula:
C11H7ClO2S
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Chemical Name:
3-AMINO-3-METHYL-BUTYRIC ACID
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Synonyms:
4-(4-chlorophenyl)thiophene-2-carboxylic acid;4-(p-chlorophenyl)-thiophene-2-carboxylic acid;CHEMBL2430564;2-Thiophenecarboxylicacid, 4-(4-chlorophenyl)-;Peakdale1_000836;SCHEMBL2652069;CTK1C1415;HMS520F22;DTXSID30370960;ZINC154328
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CAS No:
Safety Information
IRRITANT
Xi
Irritant
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:238.69
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:237.9855283
Monoisotopic Mass:237.9855283
Topological Polar Surface Area:65.5
Heavy Atom Count:15
Complexity:239
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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