Cas no 118409-54-4 (Propanedinitrile,2-[(3,4-dihydroxy-5-methoxyphenyl)methylene]-)
![Propanedinitrile,2-[(3,4-dihydroxy-5-methoxyphenyl)methylene]- structure](https://ossimg.kuujia.com/scimg/118500/118409-54-4x500.png)
118409-54-4 structure
Product Name:Propanedinitrile,2-[(3,4-dihydroxy-5-methoxyphenyl)methylene]-
CAS No:118409-54-4
MF:C11H8N2O3
MW:216.19282245636
CID:1210945
PubChem ID:667645
Update Time:2025-04-20
Propanedinitrile,2-[(3,4-dihydroxy-5-methoxyphenyl)methylene]- Chemical and Physical Properties
Names and Identifiers
-
- Propanedinitrile,2-[(3,4-dihydroxy-5-methoxyphenyl)methylene]-
- Propanedinitrile,[(3,4-dihydroxy-5-methoxyphenyl)methylene]- (9CI)
- AG 34
- AG 34 (pharmaceutical)
- Tyrphostin AG 34
- NCGC00094427-02
- SCHEMBL3459584
- AKOS024319659
- NCGC00094427-01
- AG-34
- Oprea1_550548
- Lopac-T-6318
- SR-01000076166
- 2-(3,4-Dihydroxy-5-methoxybenzylidene)malononitrile
- T 6318
- 118409-54-4
- Tyrphostin A24
- benzylidenemalononitrile (BMN) deriv. 24
- EU-0101169
- NCGC00016036-01
- 2-[(3,4-dihydroxy-5-methoxyphenyl)methylene]malononitrile
- 2-[(3,4-dihydroxy-5-methoxyphenyl)methylidene]propanedinitrile
- CHEMBL80155
- BDBM4340
- Lopac0_001169
- (3,4-Dihydroxy-5-methoxybenzylidene)malononitrile
- NCGC00016036-03
- CCG-205243
- NCGC00016036-02
- SR-01000076166-1
-
- Inchi： 1S/C11H8N2O3/c1-16-10-4-7(2-8(5-12)6-13)3-9(14)11(10)15/h2-4,14-15H,1H3
- InChI Key： DWZFIFZYMHNRRV-UHFFFAOYSA-N
- SMILES： O(C)C1=C(C(=CC(/C=C(\C#N)/C#N)=C1)O)O
Computed Properties
- Exact Mass: 216.05354
- Monoisotopic Mass: 216.05349212g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 355
- 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: 1.3
- Topological Polar Surface Area: 97.3?2
Experimental Properties
- PSA: 97.27
Propanedinitrile,2-[(3,4-dihydroxy-5-methoxyphenyl)methylene]- Related Literature
-
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
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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