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113464-95-2 | Phenol, 2-methoxy-4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-
CAS No: 113464-95-2 Catalog No: AG0008O0 MDL No:
Product Description
Catalog Number:
AG0008O0
Chemical Name:
Phenol, 2-methoxy-4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-
CAS Number:
113464-95-2
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
IUPAC Name:
2-methoxy-4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]phenol
InChI:
InChI=1S/C13H16N2O2/c1-9-7-11(15-14-9)5-3-10-4-6-12(16)13(8-10)17-2/h4,6-8,16H,3,5H2,1-2H3,(H,14,15)
InChI Key:
HNMINABMLHQMML-UHFFFAOYSA-N
SMILES:
COc1cc(CCc2n[nH]c(c2)C)ccc1O
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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