ETHYL CIS-2-ISOTHIOCYANATO-1-CYCLOPENTANECARBOXYLATE, 97
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ETHYL CIS-2-ISOTHIOCYANATO-1-CYCLOPENTANECARBOXYLATE, 97
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CAS No:
311341-94-3
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Formula:
C9H13NO2S
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Chemical Name:
ETHYL CIS-2-ISOTHIOCYANATO-1-CYCLOPENTANECARBOXYLATE, 97
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Synonyms:
ETHYL CIS-2-ISOTHIOCYANATO-1-CYCLOPENTANECARBOXYLATE, 97;Cyclopentanecarboxylic acid, 2-isothiocyanato-, ethyl ester, (1R,2S)-rel- (9CI)
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CAS No:
ETHYL CIS-2-ISOTHIOCYANATO-1-CYCLOPENTANECARBOXYLATE, 97 Basic Attributes
199.273
199.06700
DTXSID10369993
2930909090
Computed Properties
Molecular Weight:199.27
XLogP3:2.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:199.06669983
Monoisotopic Mass:199.06669983
Topological Polar Surface Area:70.8
Heavy Atom Count:13
Complexity:236
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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ETHYL CIS-2-ISOTHIOCYANATO-1-CYCLOPENTANECARBOXYLATE, 97
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