1-Methyl bicyclo[1.1.1]pentane-1,3-dicarboxylate
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1-Methyl bicyclo[1.1.1]pentane-1,3-dicarboxylate
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CAS No:
83249-10-9
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Formula:
C8H10O4
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Chemical Name:
1-Methyl bicyclo[1.1.1]pentane-1,3-dicarboxylate
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Synonyms:
Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid,1-methyl ester;Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid,monomethyl ester;1-Methyl bicyclo[1.1.1]pentane-1,3-dicarboxylate;3-(Methoxycarbonyl)bicyclo[1.1.1]pentane-1-carboxylic acid
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CAS No:
Characteristics
63.6
-0.1
1.6±0.1 g/cm3
138-139 °C @ Solvent: Chloroform, Heptane
272.2±40.0°C at 760 mmHg
111.2±20.8 °C
1.613
H2O: Sparingly soluble (14 g/L) (25 ºC)
Safety Information
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:170.16
XLogP3:-0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:170.05790880
Monoisotopic Mass:170.05790880
Topological Polar Surface Area:63.6
Heavy Atom Count:12
Complexity:249
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 1-Methyl bicyclo[1.1.1]pentane-1,3-dicarboxylate
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5 YRS
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1-Methyl bicyclo[1.1.1]pentane-1,3-dicarboxylate
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