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852228-02-5 | 1H-Pyrazole-3-methanol,5-(2-thienyl)-
CAS No: 852228-02-5 Catalog No: AG004M5F MDL No:MFCD07368555
Product Description
Catalog Number:
AG004M5F
Chemical Name:
1H-Pyrazole-3-methanol,5-(2-thienyl)-
CAS Number:
852228-02-5
Molecular Formula:
C8H8N2OS
Molecular Weight:
180.2269
MDL Number:
MFCD07368555
IUPAC Name:
(3-thiophen-2-yl-1H-pyrazol-5-yl)methanol
InChI:
InChI=1S/C8H8N2OS/c11-5-6-4-7(10-9-6)8-2-1-3-12-8/h1-4,11H,5H2,(H,9,10)
InChI Key:
NDPYGRUIEXRXDO-UHFFFAOYSA-N
SMILES:
OCc1n[nH]c(c1)c1cccs1
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.225g/mol
Monoisotopic Mass:
180.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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