Cas no 52116-39-9 (Benzoic acid, 2-(carboxymethoxy)-4-methoxy-)
52116-39-9 structure
Product Name:Benzoic acid, 2-(carboxymethoxy)-4-methoxy-
CAS No:52116-39-9
MF:C10H10O6
MW:226.182803630829
CID:360592
PubChem ID:2818111
Update Time:2025-04-19
Benzoic acid, 2-(carboxymethoxy)-4-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-(carboxymethoxy)-4-methoxy-
- 2-(carboxymethoxy)-4-methoxybenzoic acid
- DTXSID80384734
- 2-(carboxymethoxy)-4-methoxy-benzoic Acid
- SCHEMBL4134156
- AU-059/40178426
- Oprea1_117515
- 2-carboxymethoxy-4-methoxy-benzoic acid
- 52116-39-9
- CCG-253663
- Z149205792
- AKOS022655657
-
- Inchi： 1S/C10H10O6/c1-15-6-2-3-7(10(13)14)8(4-6)16-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)(H,13,14)
- InChI Key： YJBPCCIUOYAKPN-UHFFFAOYSA-N
- SMILES： O(CC(=O)O)C1C=C(C=CC=1C(=O)O)OC
Computed Properties
- Exact Mass: 226.0477
- Monoisotopic Mass: 226.04773803g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 264
- 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: 0.4
- Topological Polar Surface Area: 93.1?2
Experimental Properties
- PSA: 93.06
Benzoic acid, 2-(carboxymethoxy)-4-methoxy- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
52116-39-9 (Benzoic acid, 2-(carboxymethoxy)-4-methoxy-) Related Products
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