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144026-75-5 | 1H-Pyrazole, 5-(3-methoxyphenyl)-1-methyl-
CAS No: 144026-75-5 Catalog No: AG001IU1 MDL No:
Product Description
Catalog Number:
AG001IU1
Chemical Name:
1H-Pyrazole, 5-(3-methoxyphenyl)-1-methyl-
CAS Number:
144026-75-5
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
5-(3-methoxyphenyl)-1-methylpyrazole
InChI:
InChI=1S/C11H12N2O/c1-13-11(6-7-12-13)9-4-3-5-10(8-9)14-2/h3-8H,1-2H3
InChI Key:
CSFBLJAAHBCORO-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1ccnn1C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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