Cas no 88166-73-8 (Benzenemethanol, 2,4,5-trimethyl-3,6-dinitro-)
88166-73-8 structure
Product Name:Benzenemethanol, 2,4,5-trimethyl-3,6-dinitro-
CAS No:88166-73-8
MF:C10H12N2O5
MW:240.212682723999
CID:642627
PubChem ID:15211997
Update Time:2025-04-19
Benzenemethanol, 2,4,5-trimethyl-3,6-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol, 2,4,5-trimethyl-3,6-dinitro-
- (2,4,5-trimethyl-3,6-dinitrophenyl)methanol
- 88166-73-8
- DTXSID90570101
-
- Inchi： 1S/C10H12N2O5/c1-5-6(2)10(12(16)17)8(4-13)7(3)9(5)11(14)15/h13H,4H2,1-3H3
- InChI Key： AGPKMCFWYUKCRR-UHFFFAOYSA-N
- SMILES： OCC1C(=C(C)C(C)=C(C=1C)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 240.07462149g/mol
- Monoisotopic Mass: 240.07462149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 311
- 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: 1.8
- Topological Polar Surface Area: 112?2
Benzenemethanol, 2,4,5-trimethyl-3,6-dinitro- Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
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
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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