-
Boric acid (H3BO3), reaction products with glycerol
1. Names and Identifiers
- 1.1 Name
- Boric acid (H3BO3), reaction products with glycerol
- 1.2 Synonyms
- boric acid-glycerol; Boric acid--propane-1,2,3-triol (1/1); Boroglycerin [NF]; Boroglycerin glycerite; CTK4J1469; DTXSID30424159; EINECS 255-712-6; GLYCERYL BORATE; propane-1,2,3-triol - boric acid (1:1); U3LMU4AN21; UNII-U3LMU4AN21;
- 1.3 CAS No.
- 42220-19-9
- 1.4 CID
- 6451841
- 1.5 EINECS
- 255-712-6
- 1.6 Molecular Formula
- C3H11BO6
- 1.7 Inchi
- InChI=1S/C3H8O3.BH3O3/c4-1-3(6)2-5;2-1(3)4/h3-6H,1-2H2;2-4H
- 1.8 InChkey
- PEEKVIHQOHJITP-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- B(O)(O)O.C(C(CO)O)O
- 1.10 Isomers Smiles
- B(O)(O)O.C(C(CO)O)O
2. Computed Properties
- Molecular Weight：153.92684g/mol
- Molecular Formula：C3H11BO6
- Compound Is Canonicalized：True
- XLogP3-AA：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==
3. Realated Product Infomation
EN
