Cas no 62707-19-1 (Propanedioic acid, methylphenyl-, monoethyl ester)
62707-19-1 structure
Product Name:Propanedioic acid, methylphenyl-, monoethyl ester
CAS No:62707-19-1
MF:C12H13O4
MW:221.229223966599
CID:434487
PubChem ID:71383589
Update Time:2025-04-19
Propanedioic acid, methylphenyl-, monoethyl ester Chemical and Physical Properties
Names and Identifiers
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- Propanedioic acid, methylphenyl-, monoethyl ester
- 3-ethoxy-2-methyl-3-oxo-2-phenylpropanoate
- Methylphenylmalonic acid monoethyl ester
- 62707-19-1
- DTXSID40805894
- Propanedioic acid, 2-methyl-2-phenyl-, 1-ethyl ester
-
- Inchi： 1S/C12H14O4/c1-3-16-11(15)12(2,10(13)14)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,13,14)/p-1
- InChI Key： RDKPEKUJILTPNU-UHFFFAOYSA-M
- SMILES： O(CC)C(C(C(=O)[O-])(C)C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 221.08100
- Monoisotopic Mass: 221.08138389g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 263
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- PSA: 66.43000
- LogP: 0.25730
Propanedioic acid, methylphenyl-, monoethyl ester Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
62707-19-1 (Propanedioic acid, methylphenyl-, monoethyl ester) Related Products
- 797756-96-8(Ethyl (2R)-3-hydroxy-2-(4-methylphenyl)propanoate)
- 14510-36-2(Acetyltropic Acid)
- 87884-40-0(Ethyl 3-hydroxy-2-phenylpropanoate)
- 88254-01-7(Propanedioic acid, methylphenyl-, monoethyl ester, (S)-)
- 83-13-6(Diethyl phenylmalonate)
- 29148-27-4(Diethyl (4-Methylphenyl)malonate)
- 34009-61-5(Diethyl Methylphenylmalonate)
- 5468-86-0(Benzeneacetic acid, a,a-diformyl-, ethyl ester)
- 17097-90-4(3-Ethoxy-3-oxo-2-phenylpropanoic acid)
- 88254-00-6(Propanedioic acid, methylphenyl-, monoethyl ester, (R)-)
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