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1595725-03-3 | 2-{[1-(propan-2-yl)-1H-pyrazol-4-yl]oxy}acetic acid
CAS No: 1595725-03-3 Catalog No: AG01FLAY MDL No:
Product Description
Catalog Number:
AG01FLAY
Chemical Name:
2-{[1-(propan-2-yl)-1H-pyrazol-4-yl]oxy}acetic acid
CAS Number:
1595725-03-3
IUPAC Name:
2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid
InChI:
InChI=1S/C8H12N2O3/c1-6(2)10-4-7(3-9-10)13-5-8(11)12/h3-4,6H,5H2,1-2H3,(H,11,12)
InChI Key:
YRNTUBSFIVQVDR-UHFFFAOYSA-N
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.195g/mol
Monoisotopic Mass:
184.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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