(S)-(-)-2-ISOCYANATO-4-METHYLVALERICACIDMETHYLESTER
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(S)-(-)-2-ISOCYANATO-4-METHYLVALERICACIDMETHYLESTER
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CAS No:
39570-63-3
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Formula:
C8H13NO3
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Chemical Name:
(S)-(-)-2-ISOCYANATO-4-METHYLVALERICACIDMETHYLESTER
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Synonyms:
(S)-(-)-2-ISOCYANATO-4-METHYLVALERIC ACID METHYL ESTER;METHYL (S)-(-)-2-ISOCYANATO-4-METHYLVALERATE;(S)-(-)-2-ISOCYANATO-4-METHYLVALERIC ACID METHYL ESTER 98+%;Methyl (2S)-2-isocyanato-4-methylpentanoate;Methyl (S)-(-)-2-Isocyanato-4-methylvalerate;Methyl(S)-(-)-2-Isocyanato-4-methylvalerate>Pentanoic acid, 2-isocyanato-4-methyl-, methyl ester, (2S)-
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CAS No:
(S)-(-)-2-ISOCYANATO-4-METHYLVALERICACIDMETHYLESTER Basic Attributes
171.19
171.08954328
DTXSID70427083
Safety Information
III
6.1
2206
20/21/22-36/37/38-52-41-37/38-22
26-36/37/39-39
Xn
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, 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: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:195
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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