Cas no 54561-75-0 (Propanedioic acid, (phenylmethyl)-, monomethyl ester)
54561-75-0 structure
Product Name:Propanedioic acid, (phenylmethyl)-, monomethyl ester
CAS No:54561-75-0
MF:C11H11O4
MW:207.202643632889
CID:354237
PubChem ID:71364616
Update Time:2025-04-19
Propanedioic acid, (phenylmethyl)-, monomethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, (phenylmethyl)-, monomethyl ester
- 2-benzyl-3-methoxy-3-oxopropanoate
- methyl-2-benzylmalonate
- DTXSID60788079
- 54561-75-0
- WAJDPZSFXFVORE-UHFFFAOYSA-M
-
- Inchi： 1S/C11H12O4/c1-15-11(14)9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,12,13)/p-1
- InChI Key： WAJDPZSFXFVORE-UHFFFAOYSA-M
- SMILES： O(C)C(C(C(=O)[O-])CC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 207.06573
- Monoisotopic Mass: 207.06573383g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 225
- 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: 2.3
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- PSA: 66.43
Propanedioic acid, (phenylmethyl)-, monomethyl ester Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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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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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
54561-75-0 (Propanedioic acid, (phenylmethyl)-, monomethyl ester) Related Products
- 607-81-8(Diethyl benzylmalonate)
- 49769-78-0(Dimethyl Benzylmalonate)
- 65749-05-5(Dimethyl 2-benzylmalonate)
- 2985-39-9(Propanedioic acid,2-(phenylmethyl)-, 1-ethyl ester)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 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)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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