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2091031-00-2 | [1-methyl-3-(1,3-thiazol-2-yl)-1H-pyrazol-5-yl]methanol
CAS No: 2091031-00-2 Catalog No: AG01BSQH MDL No:MFCD30538867
Product Description
Catalog Number:
AG01BSQH
Chemical Name:
[1-methyl-3-(1,3-thiazol-2-yl)-1H-pyrazol-5-yl]methanol
CAS Number:
2091031-00-2
Molecular Formula:
C8H9N3OS
Molecular Weight:
195.2416
MDL Number:
MFCD30538867
IUPAC Name:
[2-methyl-5-(1,3-thiazol-2-yl)pyrazol-3-yl]methanol
InChI:
InChI=1S/C8H9N3OS/c1-11-6(5-12)4-7(10-11)8-9-2-3-13-8/h2-4,12H,5H2,1H3
InChI Key:
USDCUKMEMCGDME-UHFFFAOYSA-N
SMILES:
OCc1cc(nn1C)c1nccs1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.24g/mol
Monoisotopic Mass:
195.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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