Cas no 98044-10-1 (Propanedioic acid, mono[(4-methoxyphenyl)methyl] ester)
![Propanedioic acid, mono[(4-methoxyphenyl)methyl] ester structure](https://ossimg.kuujia.com/scimg/98500/98044-10-1x500.png)
98044-10-1 structure
Product Name:Propanedioic acid, mono[(4-methoxyphenyl)methyl] ester
CAS No:98044-10-1
MF:C11H11O5
MW:223.202043771744
CID:750767
PubChem ID:71331835
Update Time:2025-04-19
Propanedioic acid, mono[(4-methoxyphenyl)methyl] ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, mono[(4-methoxyphenyl)methyl] ester
- 3-[(4-methoxyphenyl)methoxy]-3-oxopropanoate
- DTXSID30760367
- mono-p-methoxybenzyl malonate
- 98044-10-1
- CPLLPKSEDBEEGT-UHFFFAOYSA-M
-
- Inchi： 1S/C11H12O5/c1-15-9-4-2-8(3-5-9)7-16-11(14)6-10(12)13/h2-5H,6-7H2,1H3,(H,12,13)/p-1
- InChI Key： CPLLPKSEDBEEGT-UHFFFAOYSA-M
- SMILES： O(C(CC(=O)[O-])=O)CC1C=CC(=CC=1)OC
Computed Properties
- Exact Mass: 223.06064845g/mol
- Monoisotopic Mass: 223.06064845g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 237
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 75.7?2
Propanedioic acid, mono[(4-methoxyphenyl)methyl] ester Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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