Cas no 69845-52-9 (3-chloro-4-hydroxy-5-methoxybenzoate)
69845-52-9 structure
Product Name:3-chloro-4-hydroxy-5-methoxybenzoate
CAS No:69845-52-9
MF:C8H7ClO4
MW:202.59178185463
CID:1740011
PubChem ID:44215
Update Time:2025-04-21
3-chloro-4-hydroxy-5-methoxybenzoate Chemical and Physical Properties
Names and Identifiers
-
- 3-chloro-4-hydroxy-5-methoxybenzoate
- 3-CHLORO-4-HYDROXY-5-METHOXYBENZOIC ACID
- 69845-52-9
- NSC45930
- CHLORO-4-HYDROXY-3-METHOXYBENZOIC ACID
- SY106386
- SCHEMBL985817
- Benzoic acid, 3-chloro-4-hydroxy-5-methoxy-
- FS-4144
- MFCD00016531
- DTXSID10978761
- Benzoic acid,3-chloro-4-hydroxy-5-methoxy-
- AKOS001144669
- 62936-23-6
- Z104442658
- NS00055999
- EN300-14822
- 5-Chlorovanillic acid, AldrichCPR
- 3-chloro-4-hydroxy-5-methoxy Benzoic acid
- DB-073224
- 5-CHLOROVANILLIC ACID
- EINECS 263-766-7
- 5-Chlorovanillic acid, tech. 90%
- NSC 45930
- AC-28568
- 5-chloro-vanillic acid
- NSC-45930
- CS-0199190
-
- Inchi： 1S/C8H7ClO4/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,10H,1H3,(H,11,12)
- InChI Key： XBRYEHVBBMSSCG-UHFFFAOYSA-N
- SMILES： ClC1C=C(C(=O)O)C=C(C=1O)OC
Computed Properties
- Exact Mass: 200.99548
- Monoisotopic Mass: 202.0032864g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 197
- 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: 1.7
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 69.59
3-chloro-4-hydroxy-5-methoxybenzoate Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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