| CAS Number | 58298-71-8 |
| Catalog Number | AG00IADB(AGN-PC-0JP0KQ) |
| Chemical Name | Methyl pyrrolo[1,2-c]pyrimidine-3-carboxylate |
| IUPAC Name | methyl pyrrolo[1,2-c]pyrimidine-3-carboxylate |
| InChI | InChI=1S/C9H8N2O2/c1-13-9(12)8-5-7-3-2-4-11(7)6-10-8/h2-6H,1H3 |
| InChI Key | XIGGGCODPDINQX-UHFFFAOYSA-N |
| MDL Number | MFCD13178547 |
| Molecular Formula | C9H8N2O2 |
| Molecular Weight | 176.1720 |
| NSC Number | 283478 |
| SMILES | COC(=O)c1ncn2c(c1)ccc2 |
| Synonyms | methyl pyrrolo[1,2-c]pyrimidine-3-carboxylate,
58298-71-8,
NSC283478,
AC1L88LC,
SCHEMBL1867606,
DTXSID10314443,
ZINC1859332,
AKOS015917154,
NSC-283478,
CS-0081733,
S03-0213,
8H-pyrrolo[2,1-f]pyrimidine-3-carboxylic acid methyl ester,
Pyrrolo[1,2-c]pyrimidine-3-carboxylic acid, methyl ester,
CID323427,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.175g/mol |
| Monoisotopic Mass | 176.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number