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77435-42-8 | 1H-Pyrazole-4-carboxylic acid, 1,3-dimethyl-5-phenyl-, ethyl ester
CAS No: 77435-42-8 Catalog No: AG005LLR MDL No:
Product Description
Catalog Number:
AG005LLR
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1,3-dimethyl-5-phenyl-, ethyl ester
CAS Number:
77435-42-8
Molecular Formula:
C14H16N2O2
Molecular Weight:
244.2890
IUPAC Name:
ethyl 1,3-dimethyl-5-phenylpyrazole-4-carboxylate
InChI:
InChI=1S/C14H16N2O2/c1-4-18-14(17)12-10(2)15-16(3)13(12)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3
InChI Key:
XEWSVZCAYCGEBB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)nn(c1c1ccccc1)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.294g/mol
Monoisotopic Mass:
244.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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