3-(1,1-Dimethylethyl)hexanedioic acid
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3-(1,1-Dimethylethyl)hexanedioic acid
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CAS No:
10347-88-3
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Formula:
C10H18O4
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Chemical Name:
3-(1,1-Dimethylethyl)hexanedioic acid
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Synonyms:
Hexanedioic acid,3-(1,1-dimethylethyl)-;Hexanedioic acid,3-tert-butyl-;3-(1,1-Dimethylethyl)hexanedioic acid;3-tert-Butyladipic acid;3-tert-Butyl-1,6-hexanedioic acid;3-tert-Butylhexanedioic acid;NSC 158330;66007-64-5
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CAS No:
Characteristics
74.60000
1.98820
white fine crystalline powder
1.103g/cm3
117 °C
352.4ºC
181.1ºC
6.55E-06mmHg at 25°C
Safety Information
R36/37/38
S26; S36
Xi
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 44 companies from 2 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:202.25
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:202.12050905
Monoisotopic Mass:202.12050905
Topological Polar Surface Area:74.6
Heavy Atom Count:14
Complexity:215
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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