Home Carboxys 1-(prop-2-enyl)-1H-pyrazole-4-carboxylic acid

1-(prop-2-enyl)-1H-pyrazole-4-carboxylic acid

CAS No.:
1155064-44-0
Catalog Number:
AG01DSTM
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
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Product Description
Catalog Number:
AG01DSTM
Chemical Name:
1-(prop-2-enyl)-1H-pyrazole-4-carboxylic acid
CAS Number:
1155064-44-0
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
MDL Number:
MFCD12139605
IUPAC Name:
1-prop-2-enylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C7H8N2O2/c1-2-3-9-5-6(4-8-9)7(10)11/h2,4-5H,1,3H2,(H,10,11)
InChI Key:
LBTTVMITLWQTSR-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn(nc1)CC=C
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.059g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
152.153g/mol
Monoisotopic Mass:
152.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties