Cas no 474940-61-9 (Benzenepropanoic acid, 3-ethyl-4-methoxy- (9CI))
474940-61-9 structure
Product Name:Benzenepropanoic acid, 3-ethyl-4-methoxy- (9CI)
CAS No:474940-61-9
MF:C12H16O3
MW:208.253643989563
CID:1022928
PubChem ID:45094893
Update Time:2025-04-20
Benzenepropanoic acid, 3-ethyl-4-methoxy- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Benzenepropanoic acid, 3-ethyl-4-methoxy- (9CI)
- DB-285456
- 474940-61-9
- BENZENEPROPANOIC ACID, 3-ETHYL-4-METHOXY-
-
- Inchi: 1S/C12H16O3/c1-3-10-8-9(5-7-12(13)14)4-6-11(10)15-2/h4,6,8H,3,5,7H2,1-2H3,(H,13,14)
- InChI Key: DWEDPYLDKXARNP-UHFFFAOYSA-N
- SMILES: O(C)C1C=CC(=CC=1CC)CCC(=O)O
Computed Properties
- Exact Mass: 208.109944368g/mol
- Monoisotopic Mass: 208.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 203
- 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: 2.4
- Topological Polar Surface Area: 46.5?2
Benzenepropanoic acid, 3-ethyl-4-methoxy- (9CI) 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
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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