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88398-59-8 | 1H-Pyrazole, 5-methoxy-1-methyl-3-(1-methylethyl)-
CAS No: 88398-59-8 Catalog No: AG004FCW MDL No:
Product Description
Catalog Number:
AG004FCW
Chemical Name:
1H-Pyrazole, 5-methoxy-1-methyl-3-(1-methylethyl)-
CAS Number:
88398-59-8
Molecular Formula:
C8H14N2O
Molecular Weight:
154.2096
IUPAC Name:
5-methoxy-1-methyl-3-propan-2-ylpyrazole
InChI:
InChI=1S/C8H14N2O/c1-6(2)7-5-8(11-4)10(3)9-7/h5-6H,1-4H3
InChI Key:
QBXDEUKRJMUKKR-UHFFFAOYSA-N
SMILES:
COc1cc(nn1C)C(C)C
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.111g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.213g/mol
Monoisotopic Mass:
154.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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