5-Aminobenzene-1,3-diol - CAS 20734-67-2
Catalog: |
BB073287 |
Product Name: |
5-Aminobenzene-1,3-diol |
CAS: |
20734-67-2 |
Synonyms: |
5-aminobenzene-1,3-diol; 5-Aminoresorcinol; 1,3-Benzenediol, 5-amino-; 5-amino-benzene-1,3-diol; 3,5-dihydroxyaniline; Phloramine |
IUPAC Name: | 5-aminobenzene-1,3-diol |
Molecular Weight: | 125.13 |
Molecular Formula: | C6H7NO2 |
Canonical SMILES: | C1=C(C=C(C=C1O)O)N |
InChI: | InChI=1S/C6H7NO2/c7-4-1-5(8)3-6(9)2-4/h1-3,8-9H,7H2 |
InChI Key: | PDCMTKJRBAZZHL-UHFFFAOYSA-N |
References: | Andrus, M. B., et al. Tetrahedron Lett. 44, 26, 4819-22, (2003). |
Complexity: | 87.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 125.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 125.047678466 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 66.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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