Cas no 117570-93-1 (2-(2-(Carboxymethyl)phenoxy)-3,4-dimethylbenzoic acid)
117570-93-1 structure
Product Name:2-(2-(Carboxymethyl)phenoxy)-3,4-dimethylbenzoic acid
CAS No:117570-93-1
MF:C17H16O5
MW:300.305945396423
CID:131566
PubChem ID:14885557
Update Time:2025-04-19
2-(2-(Carboxymethyl)phenoxy)-3,4-dimethylbenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(2-(Carboxymethyl)phenoxy)-3,4-dimethylbenzoic acid
- 2-(2-CARBOXYMETHYL-PHENOXY)-3,4-DIMETHYL-BENZOIC ACID
- 2-[(2-carboxymethyl)phenoxy]-3,4-dimethylbenzoic acid
- 2-[2-(carboxymethyl)phenoxy]-3,4-dimethylbenzoic acid
- Benzeneacetic acid,2-(6-carboxy-2,3-dimethylphenoxy)-
- 2-[2-(carboxylmethyl)phenoxy]-3,4-dimethylbenzoic acid
- Benzeneacetic acid,2-(6-carboxy-2,3-dimethylphenoxy)
- 117570-93-1
- NS00004391
- EC 601-485-7
- DTXSID40564999
- SCHEMBL2897267
-
- Inchi： 1S/C17H16O5/c1-10-7-8-13(17(20)21)16(11(10)2)22-14-6-4-3-5-12(14)9-15(18)19/h3-8H,9H2,1-2H3,(H,18,19)(H,20,21)
- InChI Key： QVNLAQHWWITQLH-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1CC(=O)O)C1C(C(=O)O)=CC=C(C)C=1C
Computed Properties
- Exact Mass: 300.10000
- Monoisotopic Mass: 300.09977361g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 5
- Complexity: 408
- 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: 3.2
- Topological Polar Surface Area: 83.8?2
Experimental Properties
- Refractive Index: 1.607
- PSA: 83.83000
- LogP: 3.42100
2-(2-(Carboxymethyl)phenoxy)-3,4-dimethylbenzoic acid Customs Data
- HS CODE：2918990090
- Customs Data：
China Customs Code:
2918990090Overview:
2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
2-(2-(Carboxymethyl)phenoxy)-3,4-dimethylbenzoic acid Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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