Butylmalonic acid
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Butylmalonic acid
structure -
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CAS No:
534-59-8
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Formula:
C7H12O4
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Chemical Name:
Butylmalonic acid
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Synonyms:
Propanedioic acid,2-butyl-;Malonic acid,butyl-;Propanedioic acid,butyl-;2-Butylpropanedioic acid;n-Butylmalonic acid;1,1-Pentanedicarboxylic acid;2-n-Butylmalonic acid;Butylmalonic acid;2-Butylmalonic acid;α-Carboxycaproic acid;NSC 791
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CAS No:
Safety Information
NONH for all modes of transport
3
R22;R36/37/38
S26-S37/39
Xn:Harmful;
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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:160.17
XLogP3:1.3
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:139
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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