Cas no 103234-48-6 (Methyl 3-(3,5-dimethylphenyl)propanoate)
103234-48-6 structure
Product Name:Methyl 3-(3,5-dimethylphenyl)propanoate
CAS No:103234-48-6
MF:C12H16O2
MW:192.254243850708
CID:1032773
PubChem ID:20220229
Update Time:2025-04-20
Methyl 3-(3,5-dimethylphenyl)propanoate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 3-(3,5-dimethylphenyl)propanoate
- DTXSID30603740
- Methyl3-(3,5-dimethylphenyl)propanoate
- 103234-48-6
- SCHEMBL9861207
-
- Inchi： 1S/C12H16O2/c1-9-6-10(2)8-11(7-9)4-5-12(13)14-3/h6-8H,4-5H2,1-3H3
- InChI Key： LKFUZKOHGFRYHD-UHFFFAOYSA-N
- SMILES： O(C)C(CCC1C=C(C)C=C(C)C=1)=O
Computed Properties
- Exact Mass: 192.115029749g/mol
- Monoisotopic Mass: 192.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 179
- 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: 3
- Topological Polar Surface Area: 26.3?2
Methyl 3-(3,5-dimethylphenyl)propanoate Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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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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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
103234-48-6 (Methyl 3-(3,5-dimethylphenyl)propanoate) Related Products
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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