Cas no 918162-07-9 (Benzoic acid, 4-hydroxy-, (1R)-1-methyl-2-propoxyethyl ester)
918162-07-9 structure
Product Name:Benzoic acid, 4-hydroxy-, (1R)-1-methyl-2-propoxyethyl ester
CAS No:918162-07-9
MF:C13H18O4
MW:238.279624462128
CID:778830
PubChem ID:71427675
Update Time:2025-04-19
Benzoic acid, 4-hydroxy-, (1R)-1-methyl-2-propoxyethyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 4-hydroxy-, (1R)-1-methyl-2-propoxyethyl ester
- [(2R)-1-propoxypropan-2-yl] 4-hydroxybenzoate
- (2R)-1-Propoxypropan-2-yl 4-hydroxybenzoate
- DTXSID70846412
- 918162-07-9
-
- Inchi： 1S/C13H18O4/c1-3-8-16-9-10(2)17-13(15)11-4-6-12(14)7-5-11/h4-7,10,14H,3,8-9H2,1-2H3/t10-/m1/s1
- InChI Key： SYTJKMSCQZIKKB-SNVBAGLBSA-N
- SMILES： O(CCC)C[C@@H](C)OC(C1C=CC(=CC=1)O)=O
Computed Properties
- Exact Mass: 238.12050905g/mol
- Monoisotopic Mass: 238.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 222
- 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: 2.6
- Topological Polar Surface Area: 55.8?2
Benzoic acid, 4-hydroxy-, (1R)-1-methyl-2-propoxyethyl ester Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
918162-07-9 (Benzoic acid, 4-hydroxy-, (1R)-1-methyl-2-propoxyethyl ester) Related Products
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