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Home > Encyclopedia > 1-Methyl bicyclo[1.1.1]pentane-1,3-dicarboxylate

1-Methyl bicyclo[1.1.1]pentane-1,3-dicarboxylate

1-Methyl bicyclo[1.1.1]pentane-1,3-dicarboxylate structure

1-Methyl bicyclo[1.1.1]pentane-1,3-dicarboxylate 

structure
  • CAS No:

    83249-10-9

  • Formula:

    C8H10O4

  • Chemical Name:

    1-Methyl bicyclo[1.1.1]pentane-1,3-dicarboxylate

  • 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

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

1-Methyl bicyclo[1.1.1]pentane-1,3-dicarboxylate Basic Attributes

170.1626

170.16

DTXSID90835348

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

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