Cas no 92810-15-6 (Benzoic acid, 2-formyl-3,5-dihydroxy-)
92810-15-6 structure
Product Name:Benzoic acid, 2-formyl-3,5-dihydroxy-
CAS No:92810-15-6
MF:C8H6O5
MW:182.130242824554
CID:753015
PubChem ID:44422624
Update Time:2025-04-19
Benzoic acid, 2-formyl-3,5-dihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-formyl-3,5-dihydroxy-
- 2-formyl-3,5-dihydroxybenzoic acid
- AKOS006372507
- 3,5-dihydroxy-2-formylbenzoic acid
- DTXSID80658967
- CHEMBL227860
- 92810-15-6
-
- Inchi： 1S/C8H6O5/c9-3-6-5(8(12)13)1-4(10)2-7(6)11/h1-3,10-11H,(H,12,13)
- InChI Key： VBPLTEDGQCTROL-UHFFFAOYSA-N
- SMILES： OC1=CC(=CC(C(=O)O)=C1C=O)O
Computed Properties
- Exact Mass: 182.02152329g/mol
- Monoisotopic Mass: 182.02152329g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 215
- 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: 0.8
- Topological Polar Surface Area: 94.8?2
Benzoic acid, 2-formyl-3,5-dihydroxy- Related Literature
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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