Cas no 57772-82-4 (Propanedioic acid, dimethyl-, bis(phenylmethyl) ester)
57772-82-4 structure
Product Name:Propanedioic acid, dimethyl-, bis(phenylmethyl) ester
CAS No:57772-82-4
MF:C19H20O4
MW:312.359705924988
CID:344254
PubChem ID:12243333
Update Time:2025-04-19
Propanedioic acid, dimethyl-, bis(phenylmethyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, dimethyl-, bis(phenylmethyl) ester
- dibenzyl 2,2-dimethylpropanedioate
- SCHEMBL991531
- 57772-82-4
- Dibenzyl dimethylpropanedioate
- DTXSID00482069
-
- Inchi： 1S/C19H20O4/c1-19(2,17(20)22-13-15-9-5-3-6-10-15)18(21)23-14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
- InChI Key： GIXKTDVKKWZNOO-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)C(C(C(=O)OCC1C=CC=CC=1)(C)C)=O
Computed Properties
- Exact Mass: 312.1362
- Monoisotopic Mass: 312.13615911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 8
- Complexity: 354
- 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: 4.1
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Propanedioic acid, dimethyl-, bis(phenylmethyl) ester Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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