| CAS Number | 893724-94-2 |
| Catalog Number | AG00IFNK(AGN-PC-0WG3YR) |
| Chemical Name | 1-Cyclopropylmethyl-4-hydroxy-6-methyl-1H-pyridin-2-one |
| IUPAC Name | 1-(cyclopropylmethyl)-4-hydroxy-6-methylpyridin-2-one |
| InChI | InChI=1S/C10H13NO2/c1-7-4-9(12)5-10(13)11(7)6-8-2-3-8/h4-5,8,12H,2-3,6H2,1H3 |
| InChI Key | SALKCUXMQXPLRV-UHFFFAOYSA-N |
| MDL Number | MFCD06496598 |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.2157 |
| SMILES | Oc1cc(C)n(c(=O)c1)CC1CC1 |
| Synonyms | 893724-94-2,
1-Cyclopropylmethyl-4-hydroxy-6-methyl-1H-pyridin-2-one,
1-(Cyclopropylmethyl)-4-hydroxy-6-methylpyridin-2(1H)-one,
AC1NHFK0,
1-(cyclopropylmethyl)-4-hydroxy-6-methylpyridin-2-one,
ZINC8548769,
MFCD06496598,
AKOS002664721,
CS-0036903,
1-(cyclopropylmethyl)-2-hydroxy-6-methylpyridin-4-one,
1-(cyclopropylmethyl)-4-hydroxy-6-methyl-1,2-dihydropyridin-2-one,
CID4739297,
1-(cyclopropylmethyl)-2-hydroxy-6-methyl-pyridin-4-one,
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| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.219g/mol |
| Monoisotopic Mass | 179.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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