2-(Hydroxymethyl)-2-[(o-methoxyphenoxy)methyl]-1,3-propanediol (CAS 7271-80-9) — formula C12H18O5, molecular weight 242.27; category organic chemicals.
| CAS Number | 7271-80-9 |
|---|---|
| Molecular Formula | C12H18O5 |
| Molecular Weight | 242.27 |
| LogP | -0.3 |
| Category | Organic Chemicals |
2-(Hydroxymethyl)-2-[(o-methoxyphenoxy)methyl]-1,3-propanediol is a carbon-based organic compound with CAS registry number 7271-80-9 and molecular formula C12H18O5 (molecular weight 242.27), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 7271-80-9
Its molecular formula C12H18O5 comprises 12 C, 18 H, 5 O atoms.
Also known as: 2-(Hydroxymethyl)-2-[(o-methoxyphenoxy)methyl]-1,3-propanediol · 2-(羟甲基)-2-[(邻甲氧基苯氧基)甲基]-1,3-丙二醇
Category: organic chemicals
The CAS registry number of 2-(Hydroxymethyl)-2-[(o-methoxyphenoxy)methyl]-1,3-propanediol is 7271-80-9.
Molecular formula C12H18O5, molecular weight 242.27.
It is also registered under: 2-(Hydroxymethyl)-2-[(o-methoxyphenoxy)methyl]-1,3-propanediol, 2-(羟甲基)-2-[(邻甲氧基苯氧基)甲基]-1,3-丙二醇.
Category: Organic Chemicals.
Independent reference data for 2-(Hydroxymethyl)-2-[(o-methoxyphenoxy)methyl]-1,3-propanediol (CAS 7271-80-9), compiled from public chemistry databases.
| CAS 号 | 7271-80-9 |
|---|---|
| PubChem CID | 81690 |
| 分子式 | C12H18O5 |
| IUPAC 名称 | 2-(hydroxymethyl)-2-[(2-methoxyphenoxy)methyl]propane-1,3-diol |
| UNII（FDA） | NS00074060 |
| Molecular Weight | 242.27 |
|---|---|
| XLogP3 | -0.3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 242.11542367 |
| Monoisotopic Mass | 242.11542367 |
| Topological Polar Surface Area | 79.2 |
| Heavy Atom Count | 17 |
| Collision Cross Section | 184.3 Ų [M-H]- |
|---|---|
| Collision Cross Section | 188.1 Ų [M+Na]+ |
| Collision Cross Section | 183.2 Ų [M+H]+ |
| Collision Cross Section | 188.6 Ų [M-2H+Na]- |
7271-80-9; HC 1505; BRN 3302697; 2-Hydroxymethyl-2-(o-methoxyphenoxymethyl)-1,3-propanediol; 1,3-Propanediol, 2-hydroxymethyl-2-(o-methoxyphenoxymethyl)-; 4-06-00-05579 (Beilstein Handbook Reference); RefChem:219658; 2-(hydroxymethyl)-2-[(2-methoxyphenoxy)methyl]propane-1,3-diol; DTXSID80993527; NS00074060
2-(羟甲基)-2-[(邻甲氧基苯氧基)甲基]-1,3-丙二醇 · CAS 7271-80-9 · C12H18O5. UNII NS00074060. Collision Cross Section: 184.3 Ų [M-H]-; Collision Cross Section: 188.1 Ų [M+Na]+; Collision Cross Section: 183.2 Ų [M+H]+.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.