Cas no 212696-86-1 (Benzaldehyde,4-[(1S)-1-hydroxyethyl]-)
![Benzaldehyde,4-[(1S)-1-hydroxyethyl]- structure](https://ossimg.kuujia.com/scimg/213000/212696-86-1x500.png)
212696-86-1 structure
Product Name:Benzaldehyde,4-[(1S)-1-hydroxyethyl]-
CAS No:212696-86-1
MF:C9H10O2
MW:150.174502849579
CID:242499
PubChem ID:45083681
Update Time:2025-04-19
Benzaldehyde,4-[(1S)-1-hydroxyethyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde,4-[(1S)-1-hydroxyethyl]-
- (S)-4-(1-Hydroxyethyl)benzaldehyde
- Benzaldehyde, 4-[(1S)-1-hydroxyethyl]- (9CI)
- 212696-86-1
- 4-[(1S)-1-Hydroxyethyl]benzaldehyde
- DTXSID90665480
- Benzaldehyde,4-[(1S)-1-hydroxyethyl]-(9ci)
-
- Inchi： 1S/C9H10O2/c1-7(11)9-4-2-8(6-10)3-5-9/h2-7,11H,1H3/t7-/m0/s1
- InChI Key： KPQCYFPPETYXOG-ZETCQYMHSA-N
- SMILES： O[C@@H](C)C1C=CC(C=O)=CC=1
Computed Properties
- Exact Mass: 150.0681
- Monoisotopic Mass: 150.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 126
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 37.3A^2
- XLogP3: 0.9
Experimental Properties
- PSA: 37.3
Benzaldehyde,4-[(1S)-1-hydroxyethyl]- Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
212696-86-1 (Benzaldehyde,4-[(1S)-1-hydroxyethyl]-) Related Products
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