Cas no 14013-55-9 (Propanoic acid, 2-(4-methylphenoxy)-, (2R)-)
14013-55-9 structure
Product Name:Propanoic acid, 2-(4-methylphenoxy)-, (2R)-
CAS No:14013-55-9
MF:C10H12O3
MW:180.200483322144
CID:1283715
Update Time:2024-08-03
Propanoic acid, 2-(4-methylphenoxy)-, (2R)- Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2-(4-methylphenoxy)-, (2R)-
-
- Inchi： 1S/C10H12O3/c1-7-3-5-9(6-4-7)13-8(2)10(11)12/h3-6,8H,1-2H3,(H,11,12)/t8-/m1/s1
- InChI Key： BTQZPXFENISXER-MRVPVSSYSA-N
- SMILES： C(O)(=O)[C@H](OC1=CC=C(C)C=C1)C
Computed Properties
- Exact Mass: 180.07866
- Monoisotopic Mass: 180.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 171
- 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
Experimental Properties
- Density: 1.142±0.06 g/cm3(Predicted)
- Boiling Point: 302.7±17.0 °C(Predicted)
- PSA: 46.53
- pka: 3.27±0.10(Predicted)
Propanoic acid, 2-(4-methylphenoxy)-, (2R)- Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
14013-55-9 (Propanoic acid, 2-(4-methylphenoxy)-, (2R)-) Related Products
- 1912-23-8(Propanoic acid,2-phenoxy-, (2S)-)
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- 1129-46-0((R)-2-Phenoxypropionic Acid)
- 940-31-8(2-phenoxypropanoic acid)
- 150436-68-3(Lactisole)
- 51264-78-9(2-(4-Formylphenoxy)propanoic acid)
- 67648-61-7(2-(4-Hydroxyphenoxy)propanoic acid)
- 22504-83-2(2-(4-Methylphenoxy)propanoic Acid)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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