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123532-22-9 | Phenol, 2-(1-methyl-1H-pyrazol-5-yl)-
CAS No: 123532-22-9 Catalog No: AG000KR1 MDL No:MFCD00120278
Product Description
Catalog Number:
AG000KR1
Chemical Name:
Phenol, 2-(1-methyl-1H-pyrazol-5-yl)-
CAS Number:
123532-22-9
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
MDL Number:
MFCD00120278
IUPAC Name:
2-(2-methylpyrazol-3-yl)phenol
InChI:
InChI=1S/C10H10N2O/c1-12-9(6-7-11-12)8-4-2-3-5-10(8)13/h2-7,13H,1H3
InChI Key:
ZEELFJDEGWFUOH-UHFFFAOYSA-N
SMILES:
Oc1ccccc1c1ccnn1C
Properties
Complexity:
174
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:
1
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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