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Home Carboxys 5-Acetyl-2H-pyrazole-3-carboxylic acid ethyl ester

5-Acetyl-2H-pyrazole-3-carboxylic acid ethyl ester

CAS No.:
37622-89-2
Catalog Number:
AG00I7EP
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$68
- +
250mg
98%
In Stock USA
United States
$125
- +
1g
98%
In Stock USA
United States
$313
- +
5g
98%
In Stock USA
United States
$938
- +
10g
98%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG00I7EP
Chemical Name:
5-Acetyl-2H-pyrazole-3-carboxylic acid ethyl ester
CAS Number:
37622-89-2
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
MDL Number:
MFCD21362351
IUPAC Name:
ethyl 3-acetyl-1H-pyrazole-5-carboxylate
InChI:
InChI=1S/C8H10N2O3/c1-3-13-8(12)7-4-6(5(2)11)9-10-7/h4H,3H2,1-2H3,(H,9,10)
InChI Key:
DUGSTTIFTRKIBL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]nc(c1)C(=O)C
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.069g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties