Cas no 104208-69-7 (1,3-dihydroxy-1-phenylpropan-2-one)
104208-69-7 structure
Product Name:1,3-dihydroxy-1-phenylpropan-2-one
CAS No:104208-69-7
MF:C9H10O3
MW:166.173902988434
CID:1142074
PubChem ID:13493555
Update Time:2025-04-20
1,3-dihydroxy-1-phenylpropan-2-one Chemical and Physical Properties
Names and Identifiers
-
- 1,3-dihydroxy-1-phenylpropan-2-one
- ACMC-20m70e
- CTK0D8142
- AGN-PC-00MSLD
- 2-Propanone, 1,3-dihydroxy-1-phenyl-
- 1,3-dihydroxy-1-phenyl-2-propanone
- 1,3-dihydroxy-1-phenyl-acetone
- SureCN5318746
- 1,3-Dihydroxy-1-phenyl-aceton
- ACMC-20m70e; CTK0D8142; AGN-PC-00MSLD; 2-Propanone, 1,3-dihydroxy-1-phenyl-; 1,3-dihydroxy-1-phenyl-2-propanone; 1,3-dihydroxy-1-phenyl-acetone; SureCN5318746; 1,3-Dihydroxy-1-phenyl-aceton;
- 104208-69-7
- DTXSID40542151
- SCHEMBL5318746
-
- Inchi： 1S/C9H10O3/c10-6-8(11)9(12)7-4-2-1-3-5-7/h1-5,9-10,12H,6H2
- InChI Key： TWEAOVXYLNFDMZ-UHFFFAOYSA-N
- SMILES： OC(C(CO)=O)C1C=CC=CC=1
Computed Properties
- Exact Mass: 166.062994177g/mol
- Monoisotopic Mass: 166.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 150
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 57.5?2
1,3-dihydroxy-1-phenylpropan-2-one Related Literature
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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