Cas no 79027-28-4 (Propanal, 2-methyl-3-(phenylmethoxy)-, (S)-)
79027-28-4 structure
Product Name:Propanal, 2-methyl-3-(phenylmethoxy)-, (S)-
CAS No:79027-28-4
MF:C11H14O2
MW:178.227663516998
CID:533499
PubChem ID:10261648
Update Time:2025-04-19
Propanal, 2-methyl-3-(phenylmethoxy)-, (S)- Chemical and Physical Properties
Names and Identifiers
-
- Propanal, 2-methyl-3-(phenylmethoxy)-, (S)-
- XYUPRHVYEKOWCD-SNVBAGLBSA-N
- DTXSID50437448
- SCHEMBL7627184
- (S)-3-benzyloxy-2-methylpropanal
- 79027-28-4
-
- Inchi： 1S/C11H14O2/c1-10(7-12)8-13-9-11-5-3-2-4-6-11/h2-7,10H,8-9H2,1H3/t10-/m1/s1
- InChI Key： XYUPRHVYEKOWCD-SNVBAGLBSA-N
- SMILES： O(CC1C=CC=CC=1)C[C@@H](C=O)C
Computed Properties
- Exact Mass: 178.099379685g/mol
- Monoisotopic Mass: 178.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 139
- 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
- XLogP3: 1.6
- Topological Polar Surface Area: 26.3?2
Propanal, 2-methyl-3-(phenylmethoxy)-, (S)- Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
79027-28-4 (Propanal, 2-methyl-3-(phenylmethoxy)-, (S)-) Related Products
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