Cas no 90047-45-3 (2,2'-(3-Methoxy-1,2-phenylene)diacetonitrile)
90047-45-3 structure
Product Name:2,2'-(3-Methoxy-1,2-phenylene)diacetonitrile
CAS No:90047-45-3
MF:C11H10N2O
MW:186.20990228653
CID:2811888
PubChem ID:13338343
Update Time:2025-04-21
2,2'-(3-Methoxy-1,2-phenylene)diacetonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2,2'-(3-Methoxy-1,2-phenylene)diacetonitrile
- DTXCID20488144
- 90047-45-3
- SCHEMBL506269
- DTXSID10537357
-
- Inchi： 1S/C11H10N2O/c1-14-11-4-2-3-9(5-7-12)10(11)6-8-13/h2-4H,5-6H2,1H3
- InChI Key： CDZQOJQRDZMMCP-UHFFFAOYSA-N
- SMILES： O(C)C1=CC=CC(CC#N)=C1CC#N
Computed Properties
- Exact Mass: 186.079312947Da
- Monoisotopic Mass: 186.079312947Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 270
- 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: 1.2
- Topological Polar Surface Area: 56.8?2
2,2'-(3-Methoxy-1,2-phenylene)diacetonitrile Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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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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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
90047-45-3 (2,2'-(3-Methoxy-1,2-phenylene)diacetonitrile) Related Products
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