Home Carboxys 1-Benzyl-5-methyl-1h-pyrazole-3-carboxylate

1-Benzyl-5-methyl-1h-pyrazole-3-carboxylate

CAS No.:
17607-80-6
Catalog Number:
AG0021EY
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 98%
1 week
United States
$159
- +
250mg
≥ 98%
1 week
United States
$265
- +
1g
≥ 98%
1 week
United States
$462
- +
5g
≥ 98%
1 week
United States
$1732
- +
Product Description
Catalog Number:
AG0021EY
Chemical Name:
1-Benzyl-5-methyl-1h-pyrazole-3-carboxylate
CAS Number:
17607-80-6
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD01331300
IUPAC Name:
1-benzyl-5-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C12H12N2O2/c1-9-7-11(12(15)16)13-14(9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16)
InChI Key:
AIYMHQTUFQNZMJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn(c(c1)C)Cc1ccccc1
Properties
Complexity:
251  
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:
2.1  
Properties