2,2,3-trimethylbutanedioic acid
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2,2,3-trimethylbutanedioic acid
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CAS No:
2103-16-4
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Formula:
C7H12O4
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Chemical Name:
2,2,3-trimethylbutanedioic acid
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Synonyms:
Butanedioic acid, trimethyl-;2,2,3-trimethylbutanedioic acid;2,2,3-Trimethylsuccinic acid;2103-16-4;NSC81626;Trimethylbernsteinsaure;Trimethyl butanedioic acid;NCIOpen2_000794;SCHEMBL2784566;NSC 81626;NSC-81626;Benzenepropanoic acid, .alpha., .beta.-dicyano-.beta.-phenyl-.alpha.-(phenylmethyl)-;2,3-Butanedicarboxylic acid, 2-methyl-;Benzenepropanoic acid,.beta.-dicyano-.beta.-phenyl-.alpha.-(phenylmethyl)-;Benzenepropanoic acid, .alpha.,.beta.-dicyano-.beta.-phenyl-.alpha.-(phenylmethyl)-
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CAS No:
Safety Information
|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|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:160.17
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:160.07355886
Monoisotopic Mass:160.07355886
Topological Polar Surface Area:74.6
Heavy Atom Count:11
Complexity:183
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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