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Boric acid (H3BO3), reaction products with glycerol, potassium salts structure
Boric acid (H3BO3), reaction products with glycerol, potassium salts structure

Boric acid (H3BO3), reaction products with glycerol, potassium salts

Iupac Name:boric acid;propane-1,2,3-triol
CAS No.: 90268-18-1
Molecular Weight:153.93
Modify Date.: 2022-08-03 10:02
1. Names and Identifiers
1.1 Name
Boric acid (H3BO3), reaction products with glycerol, potassium salts
1.2 CAS No.
90268-18-1
1.3 CID
6451841
1.4 EINECS(EC#)
290-818-6
1.5 Molecular Formula
C3H11BO6 (isomer)
1.6 Inchi
InChI=1S/C3H8O3.BH3O3/c4-1-3(6)2-5;2-1(3)4/h3-6H,1-2H2;2-4H
1.7 InChIkey
PEEKVIHQOHJITP-UHFFFAOYSA-N
1.8 Canonical Smiles
B(O)(O)O.C(C(CO)O)O
1.9 Isomers Smiles
B(O)(O)O.C(C(CO)O)O
2. Properties
2.1 Precise Quality
154.0648682
3. Computational chemical data
  • Molecular Weight: 153.93g/mol
  • Molecular Formula: C3H11BO6
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 154.0648682
  • Monoisotopic Mass: 154.0648682
  • Complexity: 33.2
  • Rotatable Bond Count: 2
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 6
  • Topological Polar Surface Area: 121
  • Heavy Atom Count: 10
  • 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: 2
  • CACTVS Substructure Key Fingerprint: AAADccJAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIGgAACAAACBSggAIAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAABEAAAAAAAQAABAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
5. Realated Product Infomation