Cas no 57816-04-3 (Benzenebutanoic acid, 3-methoxy-, methyl ester)
57816-04-3 structure
Product Name:Benzenebutanoic acid, 3-methoxy-, methyl ester
CAS No:57816-04-3
MF:C12H16O3
MW:208.253643989563
CID:344065
PubChem ID:14238512
Update Time:2025-04-19
Benzenebutanoic acid, 3-methoxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenebutanoic acid, 3-methoxy-, methyl ester
- methyl 4-(3-methoxyphenyl)butanoate
- 57816-04-3
- AKOS027550828
- DTXSID00557807
-
- Inchi： 1S/C12H16O3/c1-14-11-7-3-5-10(9-11)6-4-8-12(13)15-2/h3,5,7,9H,4,6,8H2,1-2H3
- InChI Key： UFTRWLUEQCNGBA-UHFFFAOYSA-N
- SMILES： O(C)C1=CC=CC(=C1)CCCC(=O)OC
Computed Properties
- Exact Mass: 208.10998
- Monoisotopic Mass: 208.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 191
- 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: 2.3
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Benzenebutanoic acid, 3-methoxy-, methyl ester Related Literature
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
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
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
57816-04-3 (Benzenebutanoic acid, 3-methoxy-, methyl ester) Related Products
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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