Cas no 99210-92-1 (Propanoic acid, 2-(4-chlorophenoxy)-, methyl ester, (R)-)
99210-92-1 structure
Product Name:Propanoic acid, 2-(4-chlorophenoxy)-, methyl ester, (R)-
CAS No:99210-92-1
MF:C10H11ClO3
MW:214.645542383194
CID:750320
PubChem ID:13549020
Update Time:2025-04-19
Propanoic acid, 2-(4-chlorophenoxy)-, methyl ester, (R)- Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2-(4-chlorophenoxy)-, methyl ester, (R)-
- Methyl (2R)-2-(4-chlorophenoxy)propanoate
- DTXSID701273207
- 99210-92-1
-
- Inchi： 1S/C10H11ClO3/c1-7(10(12)13-2)14-9-5-3-8(11)4-6-9/h3-7H,1-2H3/t7-/m1/s1
- InChI Key： XMRTVWAOAZXLHM-SSDOTTSWSA-N
- SMILES： ClC1C=CC(=CC=1)O[C@@H](C(=O)OC)C
Computed Properties
- Exact Mass: 214.0396719g/mol
- Monoisotopic Mass: 214.0396719g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 188
- 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: 35.5?2
Propanoic acid, 2-(4-chlorophenoxy)-, methyl ester, (R)- Related Literature
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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