Cas no 13949-81-0 (1,4-Benzenedimethanol, 2,5-dihydroxy-)
13949-81-0 structure
Product Name:1,4-Benzenedimethanol, 2,5-dihydroxy-
CAS No:13949-81-0
MF:C8H10O4
MW:170.162602901459
CID:95795
PubChem ID:12689033
Update Time:2025-04-18
1,4-Benzenedimethanol, 2,5-dihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenedimethanol, 2,5-dihydroxy-
- 2,5-bis(hydroxymethyl)benzene-1,4-diol
- DTXSID20506953
- SCHEMBL8830418
- 13949-81-0
-
- Inchi： 1S/C8H10O4/c9-3-5-1-7(11)6(4-10)2-8(5)12/h1-2,9-12H,3-4H2
- InChI Key： GTJJZOXIKFNHJS-UHFFFAOYSA-N
- SMILES： OC1C=C(CO)C(=CC=1CO)O
Computed Properties
- Exact Mass: 170.05790880g/mol
- Monoisotopic Mass: 170.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 123
- 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: 0.5
- Topological Polar Surface Area: 80.9?2
1,4-Benzenedimethanol, 2,5-dihydroxy- Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
13949-81-0 (1,4-Benzenedimethanol, 2,5-dihydroxy-) Related Products
- 2937-61-3(1,3,5-Benzenetrimethanol,2-hydroxy-)
- 2937-59-9(2,6-bis(hydroxymethyl)phenol)
- 4397-14-2(4-(hydroxymethyl)-2,6-dimethyl-phenol)
- 90-01-7(Salicyl alcohol)
- 29922-52-9(2-(Hydroxymethyl)-3-methylphenol)
- 33617-59-3(2,4-Dihydroxybenzyl alcohol)
- 91-04-3(2,6-Bis(hydroxymethyl)-4-methylphenol)
- 30159-70-7(3-(Hydroxymethyl)naphthalen-2-ol)
- 2937-60-2(1,3-Benzenedimethanol,4-hydroxy-)
- 18299-15-5(4-(Hydroxymethyl)-2-methylphenol)
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