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121911-71-5 | Phenol, 5-methyl-2-(5-phenyl-1H-pyrazol-3-yl)-
CAS No: 121911-71-5 Catalog No: AG0016DM MDL No:
Product Description
Catalog Number:
AG0016DM
Chemical Name:
Phenol, 5-methyl-2-(5-phenyl-1H-pyrazol-3-yl)-
CAS Number:
121911-71-5
Molecular Formula:
C16H14N2O
Molecular Weight:
250.2952
IUPAC Name:
5-methyl-2-(5-phenylpyrazolidin-3-yl)phenol
InChI:
InChI=1S/C16H18N2O/c1-11-7-8-13(16(19)9-11)15-10-14(17-18-15)12-5-3-2-4-6-12/h2-9,14-15,17-19H,10H2,1H3
InChI Key:
SIRGTYYQYMMDNT-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)O)c1n[nH]c(c1)c1ccccc1
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
254.333g/mol
Monoisotopic Mass:
254.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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