Cas no 802030-85-9 ((5-Methyl-1H-pyrazol-3-yl)methyl benzoate)
802030-85-9 structure
Product Name:(5-Methyl-1H-pyrazol-3-yl)methyl benzoate
CAS No:802030-85-9
MF:C12H12N2O2
MW:216.235882759094
CID:713143
Update Time:2023-08-03
(5-Methyl-1H-pyrazol-3-yl)methyl benzoate Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-3-methanol,5-methyl-, 3-benzoate
- Pyrazole-3-methanol,5-methyl-, benzoate (ester) (8CI)
- (5-Methyl-1H-pyrazol-3-yl)methyl benzoate
-
- Inchi： 1S/C12H12N2O2/c1-9-7-11(14-13-9)8-16-12(15)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,14)
- InChI Key： QMSFFBHXZUQMIR-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1)=O)CC1C=C(C)NN=1
Computed Properties
- Exact Mass: 216.09
- Monoisotopic Mass: 216.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 239
- 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
- Topological Polar Surface Area: 55
(5-Methyl-1H-pyrazol-3-yl)methyl benzoate Related Literature
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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5. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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