Cas no 79546-83-1 (Propanedioic acid,1-butyl 3-methyl ester)
79546-83-1 structure
Product Name:Propanedioic acid,1-butyl 3-methyl ester
CAS No:79546-83-1
MF:C8H14O4
MW:174.194363117218
CID:576358
PubChem ID:286074
Update Time:2025-04-19
Propanedioic acid,1-butyl 3-methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid,1-butyl 3-methyl ester
- 3-O-butyl 1-O-methyl propanedioate
- AC1L64FC
- AC1Q2XAR
- AC1Q5ZRS
- AG-H-19110
- AR-1I1296
- butyl methyl propanediate
- butyl methyl propanedioate
- CTK5E6915
- malonic acid butyl ester-methyl ester
- Malonsaeure-butylester-methylester
- NSC143780
- NSC-143780
- DTXSID60301500
- 79546-83-1
- SCHEMBL1206456
-
- Inchi： 1S/C8H14O4/c1-3-4-5-12-8(10)6-7(9)11-2/h3-6H2,1-2H3
- InChI Key： TWHYGPFXAZAPIG-UHFFFAOYSA-N
- SMILES： O(C(CC(=O)OC)=O)CCCC
Computed Properties
- Exact Mass: 174.08900
- 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: 7
- Complexity: 153
- 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: 1.4
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.60000
- LogP: 0.89280
Propanedioic acid,1-butyl 3-methyl ester Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
79546-83-1 (Propanedioic acid,1-butyl 3-methyl ester) Related Products
- 1190-39-2(Dibutyl malonate)
- 16958-88-6(Propanedioic acid,1,3-dioctyl ester)
- 207444-67-5(Propanedioic acid,1,3-bis(3-carboxypropyl) ester)
- 105-53-3(1,3-diethyl propanedioate)
- 1071-46-1(3-ethoxy-3-oxo-propanoic acid)
- 17373-84-1(Butyl ethyl malonate)
- 1117-19-7(Dipropyl malonate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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