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229015-76-3 | 1H-Pyrazole-3-carboxylic acid, 5-(4-methoxyphenyl)-, ethyl ester
CAS No: 229015-76-3 Catalog No: AG002LF1 MDL No:MFCD04170369
Product Description
Catalog Number:
AG002LF1
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-(4-methoxyphenyl)-, ethyl ester
CAS Number:
229015-76-3
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
MDL Number:
MFCD04170369
IUPAC Name:
ethyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
InChI:
InChI=1S/C13H14N2O3/c1-3-18-13(16)12-8-11(14-15-12)9-4-6-10(17-2)7-5-9/h4-8H,3H2,1-2H3,(H,14,15)
InChI Key:
SDGZPPOLTPVBLP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n[nH]c(c1)c1ccc(cc1)OC
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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