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17793-95-2 | 3,5-Cyclohexadiene-1,2-diol, (1R,2S)-rel-
CAS No: 17793-95-2 Catalog No: AG0025MG MDL No:
Product Description
Catalog Number:
AG0025MG
Chemical Name:
3,5-Cyclohexadiene-1,2-diol, (1R,2S)-rel-
CAS Number:
17793-95-2
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
IUPAC Name:
(1R,2S)-cyclohexa-3,5-diene-1,2-diol
InChI:
InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-8H/t5-,6+
InChI Key:
YDRSQRPHLBEPTP-OLQVQODUSA-N
SMILES:
O[C@@H]1C=CC=C[C@@H]1O
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
112.052g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
112.128g/mol
Monoisotopic Mass:
112.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Chemoenzymatic formal synthesis of (-)- and (+)-epibatidine. | Organic & biomolecular chemistry 20120414 |
| cis-3,5-Cyclohexadiene-1,2-diol derivatives: facial selectivity in their Diels-Alder reactions with ethylenic, acetylenic and azo dienophiles. | Organic & biomolecular chemistry 20061021 |
| [Biotransformation of benzene to cis-1,2-dihydroxycyclohexa-3,5-diene using recombinant Escherichia coli JM109 (pKST11)]. | Sheng wu gong cheng xue bao = Chinese journal of biotechnology 20030101 |
| Expression of benzene dioxygenase from Pseudomonas putida ML2 in cis-1,2-cyclohexanediol-degrading pseudomonads. | Applied microbiology and biotechnology 20010601 |
| cis-1,2-dihydroxycyclohexa-3,5-diene (NAD) oxidoreductase (cis-benzene dihydrodiol dehydrogenase) from Pseudomonas putida NCIB 12190. | Methods in enzymology 19900101 |
| Benzene dioxygenase in Pseudomonas putida. Subunit composition and immuno-cross-reactivity with other aromatic dioxygenases. | The Biochemical journal 19870615 |
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