Cas no 88674-11-7 (1H-Pyrazole-3-carboxylic acid, 4-formyl-5-phenyl-, methyl ester)
88674-11-7 structure
Product Name:1H-Pyrazole-3-carboxylic acid, 4-formyl-5-phenyl-, methyl ester
CAS No:88674-11-7
MF:C12H10N2O3
MW:230.21940279007
CID:624950
PubChem ID:13156967
Update Time:2025-04-19
1H-Pyrazole-3-carboxylic acid, 4-formyl-5-phenyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-3-carboxylic acid, 4-formyl-5-phenyl-, methyl ester
- methyl 4-formyl-3-phenyl-1H-pyrazole-5-carboxylate
- DTXSID60523003
- 88674-11-7
-
- Inchi： 1S/C12H10N2O3/c1-17-12(16)11-9(7-15)10(13-14-11)8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14)
- InChI Key： SUTVHQPQUXPNLR-UHFFFAOYSA-N
- SMILES： O(C)C(C1=C(C=O)C(C2C=CC=CC=2)=NN1)=O
Computed Properties
- Exact Mass: 230.06914219g/mol
- Monoisotopic Mass: 230.06914219g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 290
- 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: 1.5
- Topological Polar Surface Area: 72?2
1H-Pyrazole-3-carboxylic acid, 4-formyl-5-phenyl-, methyl ester Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
88674-11-7 (1H-Pyrazole-3-carboxylic acid, 4-formyl-5-phenyl-, methyl ester) Related Products
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