Cas no 232952-09-9 (1-Cyclohexene-1-carboxylicacid, 3,5-dihydroxy-, (3S,5R)-)
232952-09-9 structure
Product Name:1-Cyclohexene-1-carboxylicacid, 3,5-dihydroxy-, (3S,5R)-
CAS No:232952-09-9
MF:C7H10O4
MW:158.151902675629
CID:245333
PubChem ID:10654487
Update Time:2025-04-19
1-Cyclohexene-1-carboxylicacid, 3,5-dihydroxy-, (3S,5R)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Cyclohexene-1-carboxylicacid, 3,5-dihydroxy-, (3S,5R)-
- (-)-4-Deoxyshikimicacid
- SCHEMBL14448597
- 232952-09-9
- DTXSID20442983
- 1-Cyclohexene-1-carboxylicacid,3,5-dihydroxy-,(3S,5R)-(9ci)
- (3S,5R)-3,5-Dihydroxycyclohex-1-ene-1-carboxylic acid
-
- Inchi： 1S/C7H10O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1,5-6,8-9H,2-3H2,(H,10,11)/t5-,6-/m1/s1
- InChI Key： VOPWVSIKLIVPKB-PHDIDXHHSA-N
- SMILES： O[C@@H]1CC(C(=O)O)=C[C@H](C1)O
Computed Properties
- Exact Mass: 158.0579
- Monoisotopic Mass: 158.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 197
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.7
- Topological Polar Surface Area: 77.8?2
Experimental Properties
- PSA: 77.76
1-Cyclohexene-1-carboxylicacid, 3,5-dihydroxy-, (3S,5R)- Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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