Cas no 98117-02-3 (2-Methoxy-3-propylbenzoic acid)
98117-02-3 structure
Product Name:2-Methoxy-3-propylbenzoic acid
CAS No:98117-02-3
MF:C11H14O3
MW:194.227063655853
CID:1993086
PubChem ID:13489353
Update Time:2025-04-21
2-Methoxy-3-propylbenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-Methoxy-3-propylbenzoic acid
- DTXSID20542053
- SCHEMBL9676070
- 98117-02-3
-
- Inchi： 1S/C11H14O3/c1-3-5-8-6-4-7-9(11(12)13)10(8)14-2/h4,6-7H,3,5H2,1-2H3,(H,12,13)
- InChI Key： QNRDKBXSCGZZFV-UHFFFAOYSA-N
- SMILES： O(C)C1C(C(=O)O)=CC=CC=1CCC
Computed Properties
- Exact Mass: 194.094294304Da
- Monoisotopic Mass: 194.094294304Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- 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: 2.8
- Topological Polar Surface Area: 46.5?2
2-Methoxy-3-propylbenzoic acid Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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