6-carbamoylcyclohex-3-ene-1-carboxylic acid
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6-carbamoylcyclohex-3-ene-1-carboxylic acid
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CAS No:
2028-12-8
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Formula:
C8H11NO3
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Chemical Name:
6-carbamoylcyclohex-3-ene-1-carboxylic acid
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Synonyms:
tetrahydrophthalamic acid;3-Cyclohexene-1-carboxylic acid, 6-(aminocarbonyl)-;2028-12-8;6-carbamoylcyclohex-3-ene-1-carboxylic acid;SCHEMBL7546291;DTXSID90942400;1,2,3,6-tetrahydrophthalamic acid;NSC191910;NSC 191910;NSC-191910;2-Carbamoyl-4-cyclohexene-1-carboxylic acid;J-803007;tert-Butyl 2-amino-2-methylpropanoate benzoic acid salt;6-[Hydroxy(imino)methyl]cyclohex-3-ene-1-carboxylic acid
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CAS No:
Safety Information
|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
6-carbamoylcyclohex-3-ene-1-carboxylic acid Use and Manufacturing
Environmental transformation -> Pesticide transformation products (metabolite, successor)
THPAM is a known environmental transformation product of Captan.
Computed Properties
Molecular Weight:169.18
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:169.07389321
Monoisotopic Mass:169.07389321
Topological Polar Surface Area:80.4
Heavy Atom Count:12
Complexity:235
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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