methyl (2S,3S)-2-isocyanato-3-methylpentanoate
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methyl (2S,3S)-2-isocyanato-3-methylpentanoate
structure -
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CAS No:
120219-17-2
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Formula:
C8H13NO3
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Chemical Name:
methyl (2S,3S)-2-isocyanato-3-methylpentanoate
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Synonyms:
(2S,3S)-2-ISOCYANATO-3-METHYLVALERIC ACID METHYL ESTER; Methyl (2S,3S)-2-Isocyanato-3-methylvalerate;
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CAS No:
methyl (2S,3S)-2-isocyanato-3-methylpentanoate Basic Attributes
171.19400
171.08954328
DTXSID90427085
2929109000
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:171.19
XLogP3:2.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:171.08954328
Monoisotopic Mass:171.08954328
Topological Polar Surface Area:55.7
Heavy Atom Count:12
Complexity:197
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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