Home Carboxys methyl 1-(hydroxymethyl)-1H-pyrazole-3-carboxylate

methyl 1-(hydroxymethyl)-1H-pyrazole-3-carboxylate

CAS No.:
1001519-16-9
Catalog Number:
AG00JESK
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
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Product Description
Catalog Number:
AG00JESK
Chemical Name:
methyl 1-(hydroxymethyl)-1H-pyrazole-3-carboxylate
CAS Number:
1001519-16-9
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
MDL Number:
MFCD05861652
IUPAC Name:
methyl 1-(hydroxymethyl)pyrazole-3-carboxylate
InChI:
InChI=1S/C6H8N2O3/c1-11-6(10)5-2-3-8(4-9)7-5/h2-3,9H,4H2,1H3
InChI Key:
PCSYENHALRROFA-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccn(n1)CO
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.053g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
156.141g/mol
Monoisotopic Mass:
156.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties