(S)-3-Amino-6,7-dihydroxyhydrocoumarin HydrochlorideDISCONTINUED SEE A605095 - CAS 30033-29-5
Catalog: |
BB074891 |
Product Name: |
(S)-3-Amino-6,7-dihydroxyhydrocoumarin HydrochlorideDISCONTINUED SEE A605095 |
CAS: |
30033-29-5 |
Synonyms: |
(S)-3-Amino-3,4-dihydro-6,7-dihydroxy-2H-1-benzopyran-2-one Hydrochloride |
IUPAC Name: | (3S)-3-amino-6,7-dihydroxy-3,4-dihydrochromen-2-onehydrochloride |
Description: | A couramin derivative that is precursor in the preparation of L-DOPA analogues. |
Molecular Weight: | 231.63 |
Molecular Formula: | C9H10ClNO4 |
Canonical SMILES: | C1C(C(=O)OC2=CC(=C(C=C21)O)O)N.Cl |
InChI: | InChI=1S/C9H9NO4.ClH/c10-5-1-4-2-6(11)7(12)3-8(4)14-9(5)13/h2-3,5,11-12H,1,10H21H/t5-/m0./s1 |
InChI Key: | YVQRYXRJOZIZND-JEDNCBNOSA-N |
References: | Kaiser, A. et al. Helv. Chim. Acta, 53, 1708 (1970). |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.0298355 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.0298355 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 92.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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