Cas no 201151-04-4 (Benzoic acid, 2-methoxy-4-(1-methylethyl)-)
201151-04-4 structure
Product Name:Benzoic acid, 2-methoxy-4-(1-methylethyl)-
CAS No:201151-04-4
MF:C11H14O3
MW:194.227063655853
CID:1391551
PubChem ID:12613737
Update Time:2025-04-20
Benzoic acid, 2-methoxy-4-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-methoxy-4-(1-methylethyl)-
- 2-methoxy-4-propan-2-ylbenzoic acid
- 4-isopropyl-2-methoxybenzoic acid
- DA-39275
- HALHCELYOHCVNB-UHFFFAOYSA-N
- GS2789
- DTXSID30504384
- 2-Methoxy-4-(propan-2-yl)benzoic acid
- 2-methoxy-4-iso-propyl benzoic acid
- A1-41227
- SCHEMBL2493749
- 201151-04-4
-
- Inchi： 1S/C11H14O3/c1-7(2)8-4-5-9(11(12)13)10(6-8)14-3/h4-7H,1-3H3,(H,12,13)
- InChI Key： HALHCELYOHCVNB-UHFFFAOYSA-N
- SMILES： O(C)C1=C(C(=O)O)C=CC(=C1)C(C)C
Computed Properties
- Exact Mass: 194.09432
- Monoisotopic Mass: 194.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 201
- 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: 2.7
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Benzoic acid, 2-methoxy-4-(1-methylethyl)- Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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