| CAS Number | 281676-77-5 |
| Catalog Number | AG007L85(AGN-PC-0O8K69) |
| Chemical Name | 9H-Purine-9-acetic acid, 2-amino-1,6-dihydro-6-oxo- |
| IUPAC Name | 2-(2-amino-6-oxo-1H-purin-9-yl)acetic acid |
| InChI | InChI=1S/C7H7N5O3/c8-7-10-5-4(6(15)11-7)9-2-12(5)1-3(13)14/h2H,1H2,(H,13,14)(H3,8,10,11,15) |
| InChI Key | PJFWBSLAJQMJJS-UHFFFAOYSA-N |
| MDL Number | MFCD24481380 |
| Molecular Formula | C7H7N5O3 |
| Molecular Weight | 209.1622 |
| SMILES | O=C(O)CN1C=NC2=C1N=C(N)NC2=O |
| Synonyms | LysRs-IN-1,
281676-77-5,
2-(2-Amino-6-oxo-1H-purin-9(6H)-yl)acetic acid,
9H-Purine-9-acetic acid, 2-amino-1,6-dihydro-6-oxo-,
9-carboxymethylguanine,
SCHEMBL455494,
CTK0J2184,
DTXSID10590922,
ZINC81162221,
AKOS023771580,
AKOS030562464,
HY-103280,
CS-0027005,
2-Amino-6(1H)-oxo-9H-purine-9-acetic acid,
(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)acetic acid,
2-(2-amino-6-oxo-3H-purin-9-yl)acetic acid,
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| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.165g/mol |
| Monoisotopic Mass | 209.055g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 123A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number