Cas no 72135-27-4 (Benzoic acid, 2-methoxy-6-methyl-3-(1-methylethyl)-)
72135-27-4 structure
Product Name:Benzoic acid, 2-methoxy-6-methyl-3-(1-methylethyl)-
CAS No:72135-27-4
MF:C12H16O3
MW:208.253643989563
CID:544464
PubChem ID:20196865
Update Time:2025-04-19
Benzoic acid, 2-methoxy-6-methyl-3-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-methoxy-6-methyl-3-(1-methylethyl)-
- 2-methoxy-6-methyl-3-propan-2-ylbenzoic acid
- DTXSID70603426
- 2-Methoxy-6-methyl-3-(propan-2-yl)benzoic acid
- 72135-27-4
- SCHEMBL10722301
-
- Inchi： 1S/C12H16O3/c1-7(2)9-6-5-8(3)10(12(13)14)11(9)15-4/h5-7H,1-4H3,(H,13,14)
- InChI Key： OXBJOSLDTHIGOB-UHFFFAOYSA-N
- SMILES： O(C)C1C(C(=O)O)=C(C)C=CC=1C(C)C
Computed Properties
- Exact Mass: 208.10998
- 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: 3
- Complexity: 225
- 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: 2.9
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Benzoic acid, 2-methoxy-6-methyl-3-(1-methylethyl)- Related Literature
-
Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
-
Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
-
David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
72135-27-4 (Benzoic acid, 2-methoxy-6-methyl-3-(1-methylethyl)-) Related Products
- 57598-51-3(2-Ethyl-3-methoxybenzoic acid)
- 548-51-6(2-hydroxy-3-isopropyl-6-methylbenzoic Acid)
- 52328-48-0(4-(tert-Butyl)-2-methoxybenzoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
Recommended suppliers
上海帛亦醫(yī)藥科技有限公司
Gold Member
Audited Supplier
CN Supplier
Reagent
Henan Dongyan Pharmaceutical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
NewCan Biotech Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Nanjing Jubai Biopharm
Gold Member
Audited Supplier
CN Supplier
Bulk
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
