Cas no 96619-87-3 (Butanoic acid,2-methoxy-1-methyl-2-oxoethyl ester)
96619-87-3 structure
Product Name:Butanoic acid,2-methoxy-1-methyl-2-oxoethyl ester
CAS No:96619-87-3
MF:C8H14O4
MW:174.194363117218
CID:814906
PubChem ID:16206158
Update Time:2025-04-19
Butanoic acid,2-methoxy-1-methyl-2-oxoethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,2-methoxy-1-methyl-2-oxoethyl ester
- (1-methoxy-1-oxopropan-2-yl) butanoate
- 2-methoxy-1-methyl-2-oxoethyl butyrate
- EINECS 306-199-3
- SCHEMBL24220782
- NS00066231
- 96619-87-3
- 1-METHOXY-1-OXOPROPAN-2-YL BUTANOATE
- DTXSID40914415
-
- Inchi: 1S/C8H14O4/c1-4-5-7(9)12-6(2)8(10)11-3/h6H,4-5H2,1-3H3
- InChI Key: YKJAHVZTCFGXAH-UHFFFAOYSA-N
- SMILES: O(C(CCC)=O)C(C(=O)OC)C
Computed Properties
- Exact Mass: 174.08920892g/mol
- Monoisotopic Mass: 174.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 164
- 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: 1.3
- Topological Polar Surface Area: 52.6?2
Butanoic acid,2-methoxy-1-methyl-2-oxoethyl ester Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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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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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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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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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
96619-87-3 (Butanoic acid,2-methoxy-1-methyl-2-oxoethyl ester) Related Products
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