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1007541-72-1 | 1H-Pyrazole-4-carboxylic acid, 3-ethyl-
CAS No: 1007541-72-1 Catalog No: AG0002TM MDL No:MFCD07367322
Product Description
Catalog Number:
AG0002TM
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 3-ethyl-
CAS Number:
1007541-72-1
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD07367322
IUPAC Name:
5-ethyl-1H-pyrazole-4-carboxylic acid
InChI:
InChI=1S/C6H8N2O2/c1-2-5-4(6(9)10)3-7-8-5/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChI Key:
XUSKPMMPOGGMKA-UHFFFAOYSA-N
SMILES:
CCc1n[nH]cc1C(=O)O
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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