Cas no 2525-11-3 (1,2-Benzenediol, 4-pentyl-)
1,2-Benzenediol, 4-pentyl- structure
Product Name:1,2-Benzenediol, 4-pentyl-
CAS No:2525-11-3
MF:C11H16O2
MW:180.243543624878
CID:1421400
PubChem ID:15117919
Update Time:2025-04-20
1,2-Benzenediol, 4-pentyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediol, 4-pentyl-
- DTXSID90568482
- SCHEMBL69580
- 2525-11-3
- 4-Pentylbenzene-1,2-diol
- 4-Pentyl-1,2-dihydroxy benzene
-
- Inchi： 1S/C11H16O2/c1-2-3-4-5-9-6-7-10(12)11(13)8-9/h6-8,12-13H,2-5H2,1H3
- InChI Key： VYPHVTKBPMGYEY-UHFFFAOYSA-N
- SMILES： OC1=C(C=CC(=C1)CCCCC)O
Computed Properties
- Exact Mass: 180.11508
- Monoisotopic Mass: 180.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 136
- 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: 3.5
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
1,2-Benzenediol, 4-pentyl- Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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