Home Other Building Blocks 2-[(1-methyl-1H-pyrazol-4-yl)oxy]benzoic acid

2-[(1-methyl-1H-pyrazol-4-yl)oxy]benzoic acid

CAS No.:
1598156-28-5
Catalog Number:
AG01B8L1
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
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Product Description
Catalog Number:
AG01B8L1
Chemical Name:
2-[(1-methyl-1H-pyrazol-4-yl)oxy]benzoic acid
CAS Number:
1598156-28-5
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD27870474
IUPAC Name:
2-(1-methylpyrazol-4-yl)oxybenzoic acid
InChI:
InChI=1S/C11H10N2O3/c1-13-7-8(6-12-13)16-10-5-3-2-4-9(10)11(14)15/h2-7H,1H3,(H,14,15)
InChI Key:
SSHIIUIONBLFSR-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)Oc1ccccc1C(=O)O
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties