Cas no 100756-77-2 (1,2-Benzenedicarbonitrile, 3,6-dihydroxy-4-methyl-)
100756-77-2 structure
Product Name:1,2-Benzenedicarbonitrile, 3,6-dihydroxy-4-methyl-
CAS No:100756-77-2
MF:C9H6N2O2
MW:174.156141757965
CID:1126219
PubChem ID:13720334
Update Time:2025-04-20
1,2-Benzenedicarbonitrile, 3,6-dihydroxy-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarbonitrile, 3,6-dihydroxy-4-methyl-
- 3,6-dihydroxy-4-methylbenzene-1,2-dicarbonitrile
- AKOS022638819
- SCHEMBL23484201
- 100756-77-2
- 3,6-Dihydroxy-4-methylphthalonitrile
- DTXSID80547584
-
- Inchi： 1S/C9H6N2O2/c1-5-2-8(12)6(3-10)7(4-11)9(5)13/h2,12-13H,1H3
- InChI Key： OFPCKWNMAHPPFV-UHFFFAOYSA-N
- SMILES： OC1C(C#N)=C(C#N)C(=CC=1C)O
Computed Properties
- Exact Mass: 174.04298
- Monoisotopic Mass: 174.042927438g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 285
- 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: 2.1
- Topological Polar Surface Area: 88?2
Experimental Properties
- PSA: 88.04
1,2-Benzenedicarbonitrile, 3,6-dihydroxy-4-methyl- Related Literature
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
100756-77-2 (1,2-Benzenedicarbonitrile, 3,6-dihydroxy-4-methyl-) Related Products
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