Cas no 139174-50-8 (Benzoic acid, 4,4'-methylenebis[3,5-dihydroxy-)
139174-50-8 structure
Product Name:Benzoic acid, 4,4'-methylenebis[3,5-dihydroxy-
CAS No:139174-50-8
MF:C15H12O8
MW:320.250985145569
CID:1262817
Update Time:2024-08-04
Benzoic acid, 4,4'-methylenebis[3,5-dihydroxy- Chemical and Physical Properties
Names and Identifiers
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- 4,4'-methylenebis(3,5-dihydroxybenzoic acid)
- Benzoic acid, 4,4'-methylenebis[3,5-dihydroxy-
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- MDL： MFCD01108460
- Inchi： 1S/C15H12O8/c16-10-1-6(14(20)21)2-11(17)8(10)5-9-12(18)3-7(15(22)23)4-13(9)19/h1-4,16-19H,5H2,(H,20,21)(H,22,23)
- InChI Key： NJTKMBBSHAAKST-UHFFFAOYSA-N
- SMILES： C(C1=C(O)C=C(C=C1O)C(O)=O)C1=C(O)C=C(C=C1O)C(O)=O
Computed Properties
- Exact Mass: 320.05316
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
Experimental Properties
- PSA: 155.52
Benzoic acid, 4,4'-methylenebis[3,5-dihydroxy- Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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