Cas no 49769-82-6 (Propanedioic acid, [(4-methylphenyl)methyl]-, dimethyl ester)
![Propanedioic acid, [(4-methylphenyl)methyl]-, dimethyl ester structure](https://ossimg.kuujia.com/scimg/50000/49769-82-6x500.png)
49769-82-6 structure
Product Name:Propanedioic acid, [(4-methylphenyl)methyl]-, dimethyl ester
CAS No:49769-82-6
MF:C13H16O4
MW:236.263744354248
CID:2829076
PubChem ID:10879108
Update Time:2025-04-21
Propanedioic acid, [(4-methylphenyl)methyl]-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- DTXSID70446890
- 49769-82-6
- Propanedioic acid, [(4-methylphenyl)methyl]-, dimethyl ester
- SCHEMBL16327191
-
- Inchi： 1S/C13H16O4/c1-9-4-6-10(7-5-9)8-11(12(14)16-2)13(15)17-3/h4-7,11H,8H2,1-3H3
- InChI Key： VDDVOUKFJRBURC-UHFFFAOYSA-N
- SMILES： O(C)C(C(C(=O)OC)CC1C=CC(C)=CC=1)=O
Computed Properties
- Exact Mass: 236.10485899Da
- Monoisotopic Mass: 236.10485899Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 251
- 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: 52.6?2
Propanedioic acid, [(4-methylphenyl)methyl]-, dimethyl ester Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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