| CAS Number | 9008-02-0 |
| Catalog Number | AG003QUF(AGN-PC-0WBO2U) |
| Chemical Name | Hemoglobin |
| IUPAC Name | 2-(furan-2-yl)-7-methyl-1H-1,8-naphthyridin-4-one |
| InChI | InChI=1S/C13H10N2O2/c1-8-4-5-9-11(16)7-10(15-13(9)14-8)12-3-2-6-17-12/h2-7H,1H3,(H,14,15,16) |
| InChI Key | INGWEZCOABYORO-UHFFFAOYSA-N |
| MDL Number | MFCD00131282 |
| Molecular Formula | C13H10N2O2 |
| Molecular Weight | 226.2307 |
| SMILES | CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=CO3 |
| Synonyms | deoxyhemoglobin,
Hb(T),
T-state hemoglobin,
9008-02-0,
7-Methyl-2-(2-furyl)-1,8-naphthyridine-4(1H)-one,
CHEMBL130391,
Hemoglobins,
Haemoglobin Powder 100gm,
D0Y8UP,
2-Furan-2-yl-7-methyl-1H-[1,8]naphthyridin-4-one,
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| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.235g/mol |
| Monoisotopic Mass | 226.074g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number