Cycloheptanecarboxylic acid, 2-oxo-, methyl ester
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Cycloheptanecarboxylic acid, 2-oxo-, methyl ester
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CAS No:
52784-32-4
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Formula:
C9H14O3
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Chemical Name:
Cycloheptanecarboxylic acid, 2-oxo-, methyl ester
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Synonyms:
Cycloheptanecarboxylic acid,2-oxo-,methyl ester;Methyl 2-oxocycloheptanecarboxylate;2-(Methoxycarbonyl)cycloheptanone;2-Oxocycloheptanecarboxylic acid methyl ester;NSC 148967;Methyl 2-oxo-1-cycloheptanecarboxylate;103533-32-0
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CAS No:
Cycloheptanecarboxylic acid, 2-oxo-, methyl ester Basic Attributes
170.21
170.21
148967
DTXSID80302135
Characteristics
43.4 Ų
1.09 g/mL at 25 °C (lit.)
112-114 °C @ Press: 10 Torr
n20/D 1.474(lit.)
12.04±0.20
Safety Information
3
|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.
Computed Properties
Molecular Weight:170.21
XLogP3:1.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:170.094294304
Monoisotopic Mass:170.094294304
Topological Polar Surface Area:43.4
Heavy Atom Count:12
Complexity:186
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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