(3R)-3-Methylhexanedioic acid
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(3R)-3-Methylhexanedioic acid
structure -
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CAS No:
623-82-5
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Formula:
C7H12O4
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Chemical Name:
(3R)-3-Methylhexanedioic acid
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Synonyms:
Hexanedioic acid,3-methyl-,(3R)-;Hexanedioic acid,3-methyl-,(R)-(+)-;Hexanedioic acid,3-methyl-,(R)-;(3R)-3-Methylhexanedioic acid;(R)-3-Methyladipic acid;(+)-3-Methyladipic acid;(R)-3-Methyl-1,6-hexanedioic acid;(R)-(+)-3-Methyladipic acid;R-(+)-3-Methyladipic acid;(R)-3-Methylcyclohexanedicarboxylic acid
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CAS No:
Characteristics
74.60000
0.96200
1.197 g/cm3
84.6-85.6 °C
230 °C30 mm Hg(lit.)
170.6ºC
1.4336 (estimate)
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
Xi
Irritant
P261-P305 + P351 + P338
H315-H319-H335
|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
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:160.07355886
Monoisotopic Mass:160.07355886
Topological Polar Surface Area:74.6
Heavy Atom Count:11
Complexity:153
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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