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1214622-55-5 | 3-Ethyl-2-(1H-pyrazol-1-yl)benzoic acid
CAS No: 1214622-55-5 Catalog No: AG01FOFQ MDL No:
Product Description
Catalog Number:
AG01FOFQ
Chemical Name:
3-Ethyl-2-(1H-pyrazol-1-yl)benzoic acid
CAS Number:
1214622-55-5
IUPAC Name:
3-ethyl-2-pyrazol-1-ylbenzoic acid
InChI:
InChI=1S/C12H12N2O2/c1-2-9-5-3-6-10(12(15)16)11(9)14-8-4-7-13-14/h3-8H,2H2,1H3,(H,15,16)
InChI Key:
JRLZTPHQMUWAMO-UHFFFAOYSA-N
Properties
Complexity:
257
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:
1
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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