Cas no 150900-42-8 (Propanedinitrile,2-[(3,4-dihydroxy-5-methylphenyl)methylene]-)
![Propanedinitrile,2-[(3,4-dihydroxy-5-methylphenyl)methylene]- structure](https://ossimg.kuujia.com/scimg/151000/150900-42-8x500.png)
150900-42-8 structure
Product Name:Propanedinitrile,2-[(3,4-dihydroxy-5-methylphenyl)methylene]-
CAS No:150900-42-8
MF:C11H8N2O2
MW:200.193422317505
CID:99759
PubChem ID:9899125
Update Time:2025-04-18
Propanedinitrile,2-[(3,4-dihydroxy-5-methylphenyl)methylene]- Chemical and Physical Properties
Names and Identifiers
-
- Propanedinitrile,2-[(3,4-dihydroxy-5-methylphenyl)methylene]-
- Propanedinitrile, [(3,4-dihydroxy-5-methylphenyl)methylene]- (9CI)
- SCHEMBL10186359
- BDBM50036684
- 2-(3,4-Dihydroxy-5-methyl-benzylidene)-malononitrile
- 2-(3,4-Dihydroxy-5-methylbenzylidene)malononitrile
- CHEMBL116423
- 2-[(3,4-DIHYDROXY-5-METHYLPHENYL)METHYLIDENE]PROPANEDINITRILE
- 150900-42-8
- Propanedinitrile,[(3,4-dihydroxy-5-methylphenyl)methylene]-(9ci)
-
- Inchi： 1S/C11H8N2O2/c1-7-2-8(3-9(5-12)6-13)4-10(14)11(7)15/h2-4,14-15H,1H3
- InChI Key： NBBJLHJHLMMMKM-UHFFFAOYSA-N
- SMILES： OC1=C(C=C(/C=C(\C#N)/C#N)C=C1C)O
Computed Properties
- Exact Mass: 200.05864
- Monoisotopic Mass: 200.058577502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 339
- 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: 1.6
- Topological Polar Surface Area: 88?2
Experimental Properties
- PSA: 88.04
Propanedinitrile,2-[(3,4-dihydroxy-5-methylphenyl)methylene]- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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