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100159-47-5 | 1H-Pyrazole, 1-(phenylmethoxy)-
CAS No: 100159-47-5 Catalog No: AG00013Z MDL No:MFCD12026321
Product Description
Catalog Number:
AG00013Z
Chemical Name:
1H-Pyrazole, 1-(phenylmethoxy)-
CAS Number:
100159-47-5
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
MDL Number:
MFCD12026321
IUPAC Name:
1-phenylmethoxypyrazole
InChI:
InChI=1S/C10H10N2O/c1-2-5-10(6-3-1)9-13-12-8-4-7-11-12/h1-8H,9H2
InChI Key:
XQEPQBYKPDAGIZ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)COn1cccn1
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Novel 5-substituted 1-pyrazolol analogues of ibotenic acid: synthesis and pharmacology at glutamate receptors. | Bioorganic & medicinal chemistry 20070515 |
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