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288401-55-8 | Phenol, 4,5-dimethyl-2-(1H-pyrazol-3-yl)-
CAS No: 288401-55-8 Catalog No: AG002WRX MDL No:
Product Description
Catalog Number:
AG002WRX
Chemical Name:
Phenol, 4,5-dimethyl-2-(1H-pyrazol-3-yl)-
CAS Number:
288401-55-8
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
4,5-dimethyl-2-(1H-pyrazol-5-yl)phenol
InChI:
InChI=1S/C11H12N2O/c1-7-5-9(10-3-4-12-13-10)11(14)6-8(7)2/h3-6,14H,1-2H3,(H,12,13)
InChI Key:
BNYFPKULJAQLHN-UHFFFAOYSA-N
SMILES:
Oc1cc(C)c(cc1c1n[nH]cc1)C
Properties
Complexity:
198
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:
2
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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