Cas no 74628-83-4 (Benzoic acid, 4-methyl-, (2R)-2,3-dihydroxypropyl ester)
74628-83-4 structure
Product Name:Benzoic acid, 4-methyl-, (2R)-2,3-dihydroxypropyl ester
CAS No:74628-83-4
MF:C11H14O4
MW:210.226463794708
CID:540741
PubChem ID:71403942
Update Time:2025-04-19
Benzoic acid, 4-methyl-, (2R)-2,3-dihydroxypropyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 4-methyl-, (2R)-2,3-dihydroxypropyl ester
- [(2R)-2,3-dihydroxypropyl] 4-methylbenzoate
- 74628-83-4
- DTXSID30824817
- (2R)-2,3-Dihydroxypropyl 4-methylbenzoate
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- Inchi： 1S/C11H14O4/c1-8-2-4-9(5-3-8)11(14)15-7-10(13)6-12/h2-5,10,12-13H,6-7H2,1H3/t10-/m1/s1
- InChI Key： KIOKYCVVNSPFNL-SNVBAGLBSA-N
- SMILES： O(C(C1C=CC(C)=CC=1)=O)C[C@@H](CO)O
Computed Properties
- Exact Mass: 210.08920892g/mol
- Monoisotopic Mass: 210.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 197
- 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: 0.8
- Topological Polar Surface Area: 66.8?2
Benzoic acid, 4-methyl-, (2R)-2,3-dihydroxypropyl ester Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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