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Home> Hot Product Listed 2   > 2-CarboxyMethoxyMethyl-pyrrolidine-1-carboxylic acid tert-butyl ester
1404-23-5 structure

2-CarboxyMethoxyMethyl-pyrrolidine-1-carboxylic acid tert-butyl ester

CAS No.:1404-23-5
Molecular Weight:354.39638
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

[1-(tert-butoxycarbonyl)pyrrolidin-2-yl](methoxy)acetic acid 2-(1-(tert-butoxycarbonyl)pyrrolidin-2-yl)-2-methoxyacetic acid AK159548 AKOS024463627 AX8292847 BG00318179

Inchi
InChI=1/C21H22O5/c1-9-8-25-19-16-14(23)5-4-13(22)15(16)18-17-11(20(24)26-18)2-3-12-10(9)6-7-21(12,17)19/h4-5,9-12,17-19H,2-3,6-8H2,1H3
Canonical Smiles
CC1COC2C3C4C1CCC4CC5C3C(C6=C2C(=O)C=CC6=O)OC5=O
Properties
Vapour
3.58E-13mmHg at 25°C
Refractive Index
1.624
Computational chemical data
  • Molecular Weight:354.39638g/mol
  • Molecular Formula:
  • Exact Mass:354.146724
  • Monoisotopic Mass:354.146724
  • Complexity:807
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:69.7
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:9
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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