Cas no 112032-50-5 (propanoic acid, 3-methoxy-, 1-methylpropyl ester)
112032-50-5 structure
Product Name:propanoic acid, 3-methoxy-, 1-methylpropyl ester
CAS No:112032-50-5
MF:C8H16O3
MW:160.210843086243
CID:1199790
PubChem ID:71336015
Update Time:2025-04-20
propanoic acid, 3-methoxy-, 1-methylpropyl ester Chemical and Physical Properties
Names and Identifiers
-
- propanoic acid, 3-methoxy-, 1-methylpropyl ester
- sec-Butyl 3-methoxypropanoate
- LogP
- butan-2-yl 3-methoxypropanoate
- SCHEMBL1930749
- 112032-50-5
- DTXSID50763890
-
- Inchi： 1S/C8H16O3/c1-4-7(2)11-8(9)5-6-10-3/h7H,4-6H2,1-3H3
- InChI Key： VBYMWZHONSTKTK-UHFFFAOYSA-N
- SMILES： O(C(CCOC)=O)C(C)CC
Computed Properties
- Exact Mass: 160.10998
- Monoisotopic Mass: 160.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 112
- 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: 1.2
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
propanoic acid, 3-methoxy-, 1-methylpropyl ester Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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