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Home > Encyclopedia > Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(hydroxymethyl)-, methyl ester (9CI)

Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(hydroxymethyl)-, methyl ester (9CI)

Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(hydroxymethyl)-, methyl ester (9CI) structure

Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(hydroxymethyl)-, methyl ester (9CI) 

structure
  • CAS No:

    180464-87-3

  • Formula:

    C8H12O3

  • Chemical Name:

    Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(hydroxymethyl)-, methyl ester (9CI)

  • Synonyms:

    180464-87-3;methyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate;Methyl 1-(hydroxymethyl)bicyclo[1.1.1]pentane-3-carboxylate;Methyl 3-(hydroxymethyl)bicyclo-[1.1.1]pentane-1-carboxylate;Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(hydroxymethyl)-, methyl ester;SCHEMBL17221436;CTK8H3258;KS-000004GX;MFCD23164154;ZINC34478887

Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(hydroxymethyl)-, methyl ester (9CI) Basic Attributes

156.17908

156.079

Characteristics

46.5

0

1.352±0.06 g/cm3(Predicted)

212.3±13.0 °C(Predicted)

Safety Information

|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:156.18
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:156.078644241
Monoisotopic Mass:156.078644241
Topological Polar Surface Area:46.5
Heavy Atom Count:11
Complexity:190
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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