Home Other Building Blocks 3-(1-ethyl-1H-pyrazol-5-yl)prop-2-enoic acid

3-(1-ethyl-1H-pyrazol-5-yl)prop-2-enoic acid

CAS No.:
1613049-67-4
Catalog Number:
AG01A2DH
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
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Product Description
Catalog Number:
AG01A2DH
Chemical Name:
3-(1-ethyl-1H-pyrazol-5-yl)prop-2-enoic acid
CAS Number:
1613049-67-4
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD19621135
IUPAC Name:
3-(2-ethylpyrazol-3-yl)prop-2-enoic acid
InChI:
InChI=1S/C8H10N2O2/c1-2-10-7(5-6-9-10)3-4-8(11)12/h3-6H,2H2,1H3,(H,11,12)
InChI Key:
ZFTZAXONFCUBAL-UHFFFAOYSA-N
SMILES:
CCn1nccc1C=CC(=O)O
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
0.5  
Properties