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124344-98-5 | 1H-Pyrazole-3-methanol, 1-methyl-5-phenyl-
CAS No: 124344-98-5 Catalog No: AG000LWT MDL No:MFCD08271936
Product Description
Catalog Number:
AG000LWT
Chemical Name:
1H-Pyrazole-3-methanol, 1-methyl-5-phenyl-
CAS Number:
124344-98-5
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
MDL Number:
MFCD08271936
IUPAC Name:
(1-methyl-5-phenylpyrazol-3-yl)methanol
InChI:
InChI=1S/C11H12N2O/c1-13-11(7-10(8-14)12-13)9-5-3-2-4-6-9/h2-7,14H,8H2,1H3
InChI Key:
ZMDMCKKOZJKHKG-UHFFFAOYSA-N
SMILES:
OCc1cc(n(n1)C)c1ccccc1
Properties
Complexity:
180
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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