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Home> Hot Product Listed 5   > (5beta,7alpha,12alpha)-7,12-Dihydroxychol-2-en-24-oic acid methyl ester
119111-65-8 structure

(5beta,7alpha,12alpha)-7,12-Dihydroxychol-2-en-24-oic acid methyl ester

Iupac Name:1-(dimethylamino)cyclopropane-1-carboxylic acid
CAS No.:119111-65-8
Molecular Weight:129.159
Molecular Formula:C24H24BNO2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C6H11NO2/c1-7(2)6(3-4-6)5(8)9/h3-4H2,1-2H3,(H,8,9)
InChkey
NQAIVVRCFAMKLM-UHFFFAOYSA-N
Canonical Smiles
CN(C)C1(CC1)C(=O)O
Computational chemical data
  • Molecular Weight:129.159g/mol
  • Molecular Formula:C24H24BNO2
  • Compound Is Canonicalized:True
  • Exact Mass:129.079
  • Monoisotopic Mass:129.079
  • Complexity:138
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:40.5A^2
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBiMAAAAAAAAAAAAAAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAACAAADIiBgAQCCAMAAgAI AACQCAAAAAAAAAAAAAGIAAACABAAACAEQAAEAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
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