Glycerol formal
PubChem CID: 21618
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| Compound Synonyms | 5464-28-8, 1,3-DIOXOLANE-4-METHANOL, (1,3-Dioxolan-4-yl)methanol, 1,3-Dioxolan-4-ylmethanol, Sericosol-N, Glycerin formal, 4-(Hydroxymethyl)-1,3-dioxolane, Glycerol, 1,2-O-methylene-, 1,2-(Methylidene)glycerol, EINECS 226-758-4, NSC 15827, 4-hydroxymethyl-1,3-dioxolan, BRN 0103187, AI3-03548, NSC-15827, Q45U46I791, 5-19-02-00342 (Beilstein Handbook Reference), GLYCEROL FORMAL, .ALPHA.,.BETA., GLYCEROL FORMAL (EP MONOGRAPH), GLYCEROL FORMAL [EP MONOGRAPH], glycerinformale, 1,3-Dioxolan-4-yl-methanol, SericosolN, Sericosol N, UNII-Q45U46I791, MFCD00003218, 1,3Dioxolane4methanol, 1,3Dioxolan4ylmethanol, alpha,betaglycerol formal, METHYLIDINOGLYCEROL, Glycerol, 1,2Omethylene, Glycerol,2-O-methylene-, 1,2(Methylidene)glycerol, NCIOpen2_003665, SCHEMBL24737, GLYCEROL FORMAL [MI], 4(Hydroxymethyl)1,3dioxolane, GLYCEROL FORMAL [INCI], [1,3]dioxolan-4-yl-methanol, 1,3-Dioxolan-4-ylmethanol #, 4-hydroxymethyl-1,3-dioxolane, DTXSID10863547, GLYCEROL FORMAL, ALPHA,BETA, (1,3-dioxacyclopent-4-yl)methanol, NSC15827, AKOS015915141, (1 pound not3-Dioxolan-4-yl)methanol, DS-6052, DB-052621, NS00044002, D70284, Q27286978 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Deep Smiles | OCCCOCO5 |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Dioxolanes |
| Scaffold Graph Node Level | C1COCO1 |
| Classyfire Subclass | 1,3-dioxolanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 54.9 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3-dioxolan-4-ylmethanol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | -0.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H8O3 |
| Scaffold Graph Node Bond Level | C1COCO1 |
| Inchi Key | BOHGAOWOIJMTPZ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 1,3-dioxolane-4-methanol |
| Esol Class | Highly soluble |
| Functional Groups | C1COCO1, CO |
| Compound Name | Glycerol formal |
| Exact Mass | 104.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 104.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 104.1 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H8O3/c5-1-4-2-6-3-7-4/h4-5H,1-3H2 |
| Smiles | C1C(OCO1)CO |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Mimosa Pudica (Plant) Rel Props:Reference:ISBN:9770972795006