| CAS Number | 860787-50-4 |
| Catalog Number | AG00IWOD(AGN-PC-0WAR9C) |
| Chemical Name | 1,2,3-trimethoxy-5-(2-propynyloxy)benzene |
| IUPAC Name | 1,2,3-trimethoxy-5-prop-2-ynoxybenzene |
| InChI | InChI=1S/C12H14O4/c1-5-6-16-9-7-10(13-2)12(15-4)11(8-9)14-3/h1,7-8H,6H2,2-4H3 |
| InChI Key | OTQVXICYNQOPEB-UHFFFAOYSA-N |
| MDL Number | MFCD05975060 |
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.2372 |
| SMILES | O(C1(=CC(OC)=C(OC)C(=C1)OC))CC#C |
| Synonyms | 860787-50-4,
1,2,3-trimethoxy-5-(2-propynyloxy)benzene,
1,2,3-trimethoxy-5-(prop-2-yn-1-yloxy)benzene,
AC1MXNL3,
KS-00001T9D,
ZINC4073082,
AKOS005081702,
MCULE-9514776226,
1,2,3-trimethoxy-5-prop-2-ynoxybenzene,
SR-01000307536,
12X-0936,
SR-01000307536-1,
ZINC04073082,
CID3793228,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.24g/mol |
| Monoisotopic Mass | 222.089g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 36.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number