Cas no 108562-20-5 (Propanedinitrile, 2,2'-[2-(hydroxymethyl)-9,10-anthracenediylidene]bis-)
108562-20-5 structure
Product Name:Propanedinitrile, 2,2'-[2-(hydroxymethyl)-9,10-anthracenediylidene]bis-
CAS No:108562-20-5
MF:C21H10N4O
MW:334.330303668976
CID:1185883
PubChem ID:13796025
Update Time:2025-04-20
Propanedinitrile, 2,2'-[2-(hydroxymethyl)-9,10-anthracenediylidene]bis- Chemical and Physical Properties
Names and Identifiers
-
- Propanedinitrile, 2,2'-[2-(hydroxymethyl)-9,10-anthracenediylidene]bis-
- 2-[10-(dicyanomethylidene)-3-(hydroxymethyl)anthracen-9-ylidene]propanedinitrile
- 108562-20-5
- 2,2'-[2-(Hydroxymethyl)anthracene-9,10-diylidene]dipropanedinitrile
- DTXSID90549736
-
- Inchi: 1S/C21H10N4O/c22-8-14(9-23)20-16-3-1-2-4-17(16)21(15(10-24)11-25)19-7-13(12-26)5-6-18(19)20/h1-7,26H,12H2
- InChI Key: QRXOGNUTCXKCFS-UHFFFAOYSA-N
- SMILES: OCC1C=CC2C(=C(C#N)C#N)C3C=CC=CC=3C(=C(C#N)C#N)C=2C=1 |c:6,t:19|
Computed Properties
- Exact Mass: 334.0856
- Monoisotopic Mass: 334.08546096g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 26
- Rotatable Bond Count: 1
- Complexity: 823
- 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: 1.8
- Topological Polar Surface Area: 115?2
Experimental Properties
- PSA: 115.39
Propanedinitrile, 2,2'-[2-(hydroxymethyl)-9,10-anthracenediylidene]bis- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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