Cas no 127448-92-4 (Benzoic acid,4-(2,6-dihydroxybenzoyl)-3-formyl-5-hydroxy-)
127448-92-4 structure
Product Name:Benzoic acid,4-(2,6-dihydroxybenzoyl)-3-formyl-5-hydroxy-
CAS No:127448-92-4
MF:C15H10O7
MW:302.235704898834
CID:161950
Update Time:2025-04-19
Benzoic acid,4-(2,6-dihydroxybenzoyl)-3-formyl-5-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-(2,6-dihydroxybenzoyl)-3-formyl-5-hydroxy-
- 4-(2,6-Dihydroxybenzoyl)-3-formyl-5-hydroxybenzoic acid
- Tan 931
- Tan-931
-
- Inchi： 1S/C15H10O7/c16-6-8-4-7(15(21)22)5-11(19)12(8)14(20)13-9(17)2-1-3-10(13)18/h1-6,17-19H,(H,21,22)
- InChI Key： INVAPAXTQZQLGN-UHFFFAOYSA-N
- SMILES： OC1=CC(C(=O)O)=CC(C=O)=C1C(C1C(=CC=CC=1O)O)=O
Computed Properties
- Exact Mass: 302.0426
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 439
- 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
- Surface Charge: 0
- Tautomer Count: 33
- XLogP3: 1.7
Experimental Properties
- PSA: 132.13
Benzoic acid,4-(2,6-dihydroxybenzoyl)-3-formyl-5-hydroxy- Related Literature
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
127448-92-4 (Benzoic acid,4-(2,6-dihydroxybenzoyl)-3-formyl-5-hydroxy-) Related Products
- 481-72-1(Aloe emodin)
- 481-73-2(9,10-Anthracenedione,1,3,8-trihydroxy-6- (hydroxymethyl)-)
- 478-43-3(Rhein)
- 2513-33-9(2',4'-Dihydroxy-2-benzoylbenzoic Acid)
- 478-08-0(Lucidin)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
Recommended suppliers
NewCan Biotech Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Nanjing Jubai Biopharm
Gold Member
Audited Supplier
CN Supplier
Bulk
煙臺朗裕新材料科技有限公司
Gold Member
Audited Supplier
CN Supplier
Reagent
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk