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247583-70-6 | 1H-Pyrazole-3-carboxylic acid, 1-methyl-5-propyl-
CAS No: 247583-70-6 Catalog No: AG002PCJ MDL No:MFCD04115071
Product Description
Catalog Number:
AG002PCJ
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 1-methyl-5-propyl-
CAS Number:
247583-70-6
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD04115071
IUPAC Name:
1-methyl-5-propylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C8H12N2O2/c1-3-4-6-5-7(8(11)12)9-10(6)2/h5H,3-4H2,1-2H3,(H,11,12)
InChI Key:
ORGXAHHHNKMEBW-UHFFFAOYSA-N
SMILES:
Cn1nc(cc1CCC)C(=O)O
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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