Cas no 10191-00-1 (Shikimihsaeure)
Shikimihsaeure structure
Product Name:Shikimihsaeure
CAS No:10191-00-1
MF:C7H10O5
MW:174.151302814484
CID:2040941
PubChem ID:10986763
Update Time:2025-04-21
Shikimihsaeure Chemical and Physical Properties
Names and Identifiers
-
- Shikimihsaeure
- SCHEMBL8943144
- (+)-Shikimic acid
- (3S,4R,5S)-3,4,5-Trihydroxycyclohex-1-enecarboxylicacid
- (3S,4R,5S)-3,4,5-trihydroxycyclohexene-1-carboxylic acid
- 10191-00-1
- (3S,4R,5S)-3,4,5-Trihydroxycyclohex-1-enecarboxylic acid
-
- Inchi： 1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m0/s1
- InChI Key： JXOHGGNKMLTUBP-ZLUOBGJFSA-N
- SMILES： O[C@H]1[C@H](C=C(C(=O)O)C[C@@H]1O)O
Computed Properties
- Exact Mass: 174.052823g/mol
- Monoisotopic Mass: 174.052823g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 222
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Molecular Weight: 174.15g/mol
- XLogP3: -1.7
- Topological Polar Surface Area: 98?2
Shikimihsaeure Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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