Cas no 70978-40-4 (1-(2-hydroxy-5-methyl-3-nitrophenyl)propan-1-one)
70978-40-4 structure
Product Name:1-(2-hydroxy-5-methyl-3-nitrophenyl)propan-1-one
CAS No:70978-40-4
MF:C10H11NO4
MW:209.198642969131
CID:1747627
PubChem ID:15561261
Update Time:2025-04-21
1-(2-hydroxy-5-methyl-3-nitrophenyl)propan-1-one Chemical and Physical Properties
Names and Identifiers
-
- 1-(2-hydroxy-5-methyl-3-nitrophenyl)propan-1-one
- KB-213115
- AGN-PC-00POBU
- AG-G-77679
- SureCN11074065
- 4-methyl-2-nitro-6-propanoylphenol
- CTK5D3284
- 2-Hydroxy-3-nitro-5-methyl-propiophenon
- 2-Hydroxy-3-nitro-5-methyl-propiophenon;4-methyl-2-nitro-6-propanoylphenol;
- DTXSID00574195
- 70978-40-4
- SCHEMBL11074065
-
- Inchi： 1S/C10H11NO4/c1-3-9(12)7-4-6(2)5-8(10(7)13)11(14)15/h4-5,13H,3H2,1-2H3
- InChI Key： CBYZMXQAOPOQBI-UHFFFAOYSA-N
- SMILES： OC1=C(C=C(C)C=C1C(CC)=O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 209.06900
- Monoisotopic Mass: 209.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 261
- 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: 2.5
- Topological Polar Surface Area: 83.1?2
Experimental Properties
- PSA: 83.12000
- LogP: 2.72470
1-(2-hydroxy-5-methyl-3-nitrophenyl)propan-1-one Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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