Home Other Building Blocks 4-(HYDROXYMETHYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER

4-(HYDROXYMETHYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER

CAS No.:
61453-49-4
Catalog Number:
AG01DWJD
Molecular Formula:
C7H10N2O3
Molecular Weight:
170.1659
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Product Description
Catalog Number:
AG01DWJD
Chemical Name:
4-(HYDROXYMETHYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
CAS Number:
61453-49-4
Molecular Formula:
C7H10N2O3
Molecular Weight:
170.1659
MDL Number:
MFCD16620141
IUPAC Name:
ethyl 4-(hydroxymethyl)-1H-pyrazole-5-carboxylate
InChI:
InChI=1S/C7H10N2O3/c1-2-12-7(11)6-5(4-10)3-8-9-6/h3,10H,2,4H2,1H3,(H,8,9)
InChI Key:
KVCPVHZCXJRNIZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n[nH]cc1CO
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.069g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
170.168g/mol
Monoisotopic Mass:
170.069g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties