Cas no 52153-44-3 (1,2-Propanediol, 3-(2-methylphenoxy)-, (S)-)
52153-44-3 structure
Product Name:1,2-Propanediol, 3-(2-methylphenoxy)-, (S)-
CAS No:52153-44-3
MF:C10H14O3
MW:182.216363430023
CID:360445
PubChem ID:6931199
Update Time:2025-04-19
1,2-Propanediol, 3-(2-methylphenoxy)-, (S)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Propanediol, 3-(2-methylphenoxy)-, (S)-
- AC1OC2FO
- SCHEMBL332864
- PD132470
- NS00098836
- (S)-3-(2-Methylphenoxy)propane-1,2-diol
- 52153-44-3
- DTXSID60426126
-
- Inchi： 1S/C10H14O3/c1-8-4-2-3-5-10(8)13-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3/t9-/m0/s1
- InChI Key： JWDYCNIAQWPBHD-VIFPVBQESA-N
- SMILES： O(C1C=CC=CC=1C)C[C@H](CO)O
Computed Properties
- Exact Mass: 182.09432
- Monoisotopic Mass: 182.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 138
- 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: 1.4
- Topological Polar Surface Area: 49.7?2
Experimental Properties
- PSA: 49.69
1,2-Propanediol, 3-(2-methylphenoxy)-, (S)- Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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