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75998-99-1 | 4-((3,5-Dimethyl-1H-pyrazol-4-yl);methyl);phenol
CAS No: 75998-99-1 Catalog No: AG005GSY MDL No:MFCD00138769
Product Description
Catalog Number:
AG005GSY
Chemical Name:
4-((3,5-Dimethyl-1H-pyrazol-4-yl);methyl);phenol
CAS Number:
75998-99-1
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
MDL Number:
MFCD00138769
IUPAC Name:
4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenol
InChI:
InChI=1S/C12H14N2O/c1-8-12(9(2)14-13-8)7-10-3-5-11(15)6-4-10/h3-6,15H,7H2,1-2H3,(H,13,14)
InChI Key:
WCAVDWUYRBVRMN-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)Cc1c(C)n[nH]c1C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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