Cas no 69068-66-2 (2-Propenoic acid, 2-methyl-, 2-hydroxy-1-(hydroxymethyl)ethyl ester)
69068-66-2 structure
Product Name:2-Propenoic acid, 2-methyl-, 2-hydroxy-1-(hydroxymethyl)ethyl ester
CAS No:69068-66-2
MF:C7H12O4
MW:160.167782783508
CID:392274
PubChem ID:9898900
Update Time:2025-04-19
2-Propenoic acid, 2-methyl-, 2-hydroxy-1-(hydroxymethyl)ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 2-methyl-, 2-hydroxy-1-(hydroxymethyl)ethyl ester
- 1,3-dihydroxypropan-2-yl 2-methylprop-2-enoate
- DTXSID30432496
- 69068-66-2
- SCHEMBL35385
-
- Inchi： 1S/C7H12O4/c1-5(2)7(10)11-6(3-8)4-9/h6,8-9H,1,3-4H2,2H3
- InChI Key： WMWOVDPNCMAJPV-UHFFFAOYSA-N
- SMILES： O(C(C(=C)C)=O)C(CO)CO
Computed Properties
- Exact Mass: 160.07355886g/mol
- Monoisotopic Mass: 160.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 149
- 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: 0.1
- Topological Polar Surface Area: 66.8?2
2-Propenoic acid, 2-methyl-, 2-hydroxy-1-(hydroxymethyl)ethyl ester Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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