Home Other Building Blocks 3-(1-methyl-1H-pyrazol-4-yl)but-2-enoic acid

3-(1-methyl-1H-pyrazol-4-yl)but-2-enoic acid

CAS No.:
1251452-23-9
Catalog Number:
AG01E7KO
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01E7KO
Chemical Name:
3-(1-methyl-1H-pyrazol-4-yl)but-2-enoic acid
CAS Number:
1251452-23-9
MDL Number:
MFCD23719403
IUPAC Name:
(E)-3-(1-methylpyrazol-4-yl)but-2-enoic acid
InChI:
InChI=1S/C8H10N2O2/c1-6(3-8(11)12)7-4-9-10(2)5-7/h3-5H,1-2H3,(H,11,12)/b6-3+
InChI Key:
DUDYFQBZMRLJBH-ZZXKWVIFSA-N
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties