Cas no 56752-41-1 (Propanedioic acid, (1-methylethoxy)-, methyl 1-methylethyl ester)
56752-41-1 structure
Product Name:Propanedioic acid, (1-methylethoxy)-, methyl 1-methylethyl ester
CAS No:56752-41-1
MF:C10H18O5
MW:218.246923923492
CID:347949
PubChem ID:71444549
Update Time:2025-04-19
Propanedioic acid, (1-methylethoxy)-, methyl 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, (1-methylethoxy)-, methyl 1-methylethyl ester
- 1-O-methyl 3-O-propan-2-yl 2-propan-2-yloxypropanedioate
- Methyl propan-2-yl [(propan-2-yl)oxy]propanedioate
- 56752-41-1
- DTXSID00853316
-
- Inchi: 1S/C10H18O5/c1-6(2)14-8(9(11)13-5)10(12)15-7(3)4/h6-8H,1-5H3
- InChI Key: VGMVLGRKGUYDAH-UHFFFAOYSA-N
- SMILES: O(C(C(=O)OC)C(=O)OC(C)C)C(C)C
Computed Properties
- Exact Mass: 218.11544
- Monoisotopic Mass: 218.11542367g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 222
- 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: 1.7
- Topological Polar Surface Area: 61.8?2
Experimental Properties
- PSA: 61.83
Propanedioic acid, (1-methylethoxy)-, methyl 1-methylethyl ester Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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