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179055-18-6 | Benzenemethanol, 4-(1-methyl-1H-pyrazol-5-yl)-
CAS No: 179055-18-6 Catalog No: AG0026PY MDL No:
Product Description
Catalog Number:
AG0026PY
Chemical Name:
Benzenemethanol, 4-(1-methyl-1H-pyrazol-5-yl)-
CAS Number:
179055-18-6
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
[4-(2-methylpyrazol-3-yl)phenyl]methanol
InChI:
InChI=1S/C11H12N2O/c1-13-11(6-7-12-13)10-4-2-9(8-14)3-5-10/h2-7,14H,8H2,1H3
InChI Key:
GTOIYABGDSYZPW-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)c1ccnn1C
Properties
Complexity:
178
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:
1
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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