Home Carboxys Ethyl 3-(hydroxymethyl)-1-methyl-1h-pyrazole-5-carboxylate

Ethyl 3-(hydroxymethyl)-1-methyl-1h-pyrazole-5-carboxylate

CAS No.:
199480-28-9
Catalog Number:
AG002C5N
Molecular Formula:
C8H12N2O3
Molecular Weight:
184.1925
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$320
- +
1g
95%
1 week
United States
$744
- +
Product Description
Catalog Number:
AG002C5N
Chemical Name:
Ethyl 3-(hydroxymethyl)-1-methyl-1h-pyrazole-5-carboxylate
CAS Number:
199480-28-9
Molecular Formula:
C8H12N2O3
Molecular Weight:
184.1925
MDL Number:
MFCD27988094
IUPAC Name:
ethyl 5-(hydroxymethyl)-2-methylpyrazole-3-carboxylate
InChI:
InChI=1S/C8H12N2O3/c1-3-13-8(12)7-4-6(5-11)9-10(7)2/h4,11H,3,5H2,1-2H3
InChI Key:
NAILRRQHNORYGN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(nn1C)CO
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.085g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.195g/mol
Monoisotopic Mass:
184.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties