3-Oxocyclopentanecarboxylic acid
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3-Oxocyclopentanecarboxylic acid
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CAS No:
98-78-2
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Formula:
C6H8O3
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Chemical Name:
3-Oxocyclopentanecarboxylic acid
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Synonyms:
Cyclopentanecarboxylic acid,3-oxo-;3-Oxocyclopentanecarboxylic acid;Cyclopentanone-3-carboxylic acid;NSC 19869;3-Ketocyclopentylcarboxylic acid;3-Oxocyclopentane-1-carboxylic acid;3-Carboxycyclopentanone;62696-96-2
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CAS No:
Description
White powder
3-oxocyclopentanecarboxylic acid is an alicyclic ketone that is oxocyclopentanone substituted at position 3 by a carboxy group. It is a 4-oxo monocarboxylic acid and an alicyclic ketone. It is a conjugate acid of a 3-oxocyclopentanecarboxylate.
Safety Information
NONH for all modes of transport
3
36/37/38
S26-S36/37/39
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (96.97%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 66 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:128.13
XLogP3:-0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:128.047344113
Monoisotopic Mass:128.047344113
Topological Polar Surface Area:54.4
Heavy Atom Count:9
Complexity:150
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Oxocyclopentanecarboxylic acid
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