| CAS Number | 174180-53-1 |
| Catalog Number | AG00HZMT(AGN-PC-0N6MOQ) |
| Chemical Name | 2-Hydroxymethyl-indole-1-carboxylic acid tert-butyl ester |
| IUPAC Name | tert-butyl 2-(hydroxymethyl)indole-1-carboxylate |
| InChI | InChI=1S/C14H17NO3/c1-14(2,3)18-13(17)15-11(9-16)8-10-6-4-5-7-12(10)15/h4-8,16H,9H2,1-3H3 |
| InChI Key | RUYWVLLULLUPTR-UHFFFAOYSA-N |
| MDL Number | MFCD09032312 |
| Molecular Formula | C14H17NO3 |
| Molecular Weight | 247.2897 |
| SMILES | CC(C)(C)OC(=O)N1C(CO)=CC2=C1C=CC=C2 |
| Synonyms | 174180-53-1,
tert-butyl 2-(hydroxymethyl)-1H-indole-1-carboxylate,
2-HYDROXYMETHYL-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER,
SCHEMBL15231418,
DTXSID90441802,
MFCD09032312,
ZINC21996181,
AKOS015965680,
FCH1626479,
ACM174180531,
AS-44907,
BBV-45002700,
DA-43518,
SC-31728,
FT-0750604,
2-HYDROXYMETHYL-INDOLE-1-CARBOXYLIC ACID TERT-BUTY,
CID10562443,
Tert-butyl 2-(hydroxymethyl)indole-1-carboxylate,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.294g/mol |
| Monoisotopic Mass | 247.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number