Cas no 63147-21-7 (2,3-dimethoxy-6-hydroxybenzoic acid, phenylmethyl ester)
63147-21-7 structure
Product Name:2,3-dimethoxy-6-hydroxybenzoic acid, phenylmethyl ester
CAS No:63147-21-7
MF:C16H16O5
MW:288.295245170593
CID:2030577
PubChem ID:14910568
Update Time:2025-04-21
2,3-dimethoxy-6-hydroxybenzoic acid, phenylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2,3-dimethoxy-6-hydroxybenzoic acid, phenylmethyl ester
- 5.6-Dimethoxysalicylsaeure-benzylester
- benzyl 2-hydroxy-5,6-dimethoxybenzoate
- benzyl 6-hydroxy-2,3-dimethoxybenzoate
- DTXSID10565271
- 63147-21-7
- Benzyl 6-hydroxy-2,3-dimethoxybenzoic acid
- DTXCID70516047
-
- Inchi： 1S/C16H16O5/c1-19-13-9-8-12(17)14(15(13)20-2)16(18)21-10-11-6-4-3-5-7-11/h3-9,17H,10H2,1-2H3
- InChI Key： HKRGBDMRFLWKMB-UHFFFAOYSA-N
- SMILES： O(C(C1C(=CC=C(C=1OC)OC)O)=O)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 288.09977361g/mol
- Monoisotopic Mass: 288.09977361g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 327
- 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: 3.4
- Topological Polar Surface Area: 65?2
2,3-dimethoxy-6-hydroxybenzoic acid, phenylmethyl ester Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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