Home Other Building Blocks Benzoic acid, 4-(1-methyl-1H-pyrazol-5-yl)-, methyl ester

Benzoic acid, 4-(1-methyl-1H-pyrazol-5-yl)-, methyl ester

CAS No.:
179057-12-6
Catalog Number:
AG0026QP
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$424
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Product Description
Catalog Number:
AG0026QP
Chemical Name:
Benzoic acid, 4-(1-methyl-1H-pyrazol-5-yl)-, methyl ester
CAS Number:
179057-12-6
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD11846164
IUPAC Name:
methyl 4-(2-methylpyrazol-3-yl)benzoate
InChI:
InChI=1S/C12H12N2O2/c1-14-11(7-8-13-14)9-3-5-10(6-4-9)12(15)16-2/h3-8H,1-2H3
InChI Key:
PYEWEFGLTSTRFG-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)c1ccnn1C
Properties
Complexity:
249  
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:
3  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties