Cas no 119884-60-5 (Acetaldehyde,2-(2(1H)-pyrimidinylidene)-)
119884-60-5 structure
Product Name:Acetaldehyde,2-(2(1H)-pyrimidinylidene)-
CAS No:119884-60-5
MF:C6H6N2O
MW:122.12464094162
CID:132315
PubChem ID:136251870
Update Time:2025-04-19
Acetaldehyde,2-(2(1H)-pyrimidinylidene)- Chemical and Physical Properties
Names and Identifiers
-
- Acetaldehyde,2-(2(1H)-pyrimidinylidene)-
- Acetaldehyde, 2(1H)-pyrimidinylidene- (9CI)
- ACETALDEHYDE,2-1H-PYRIMIDINYLIDENE-
- 119884-60-5
-
- Inchi： 1S/C6H6N2O/c9-5-2-6-7-3-1-4-8-6/h1-5,9H/b5-2+
- InChI Key： DOEFLFNKNSBNGU-GORDUTHDSA-N
- SMILES： O/C=C/C1N=CC=CN=1
Computed Properties
- Exact Mass: 122.04808
- Monoisotopic Mass: 122.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 191
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 41.5A^2
- XLogP3: 0.3
Experimental Properties
- PSA: 41.46
Acetaldehyde,2-(2(1H)-pyrimidinylidene)- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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