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115315-94-1 | 1H-Pyrazole-5-carboxylic acid, 1-phenyl-, ethyl ester
CAS No: 115315-94-1 Catalog No: AG000GLT MDL No:MFCD06204861
Product Description
Catalog Number:
AG000GLT
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 1-phenyl-, ethyl ester
CAS Number:
115315-94-1
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD06204861
IUPAC Name:
ethyl 2-phenylpyrazole-3-carboxylate
InChI:
InChI=1S/C12H12N2O2/c1-2-16-12(15)11-8-9-13-14(11)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChI Key:
RIDCTNJRFMAYQU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccnn1c1ccccc1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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