Home Other Building Blocks rac-[(2R,3S)-2-(1-methyl-1H-pyrazol-4-yl)oxolan-3-yl]methanol, trans

rac-[(2R,3S)-2-(1-methyl-1H-pyrazol-4-yl)oxolan-3-yl]methanol, trans

CAS No.:
1969287-52-2
Catalog Number:
AG01B5AD
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
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Product Description
Catalog Number:
AG01B5AD
Chemical Name:
rac-[(2R,3S)-2-(1-methyl-1H-pyrazol-4-yl)oxolan-3-yl]methanol, trans
CAS Number:
1969287-52-2
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
MDL Number:
MFCD30012457
IUPAC Name:
[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanol
InChI:
InChI=1S/C9H14N2O2/c1-11-5-8(4-10-11)9-7(6-12)2-3-13-9/h4-5,7,9,12H,2-3,6H2,1H3/t7-,9-/m0/s1
InChI Key:
DVUIKNLXEWVQCA-CBAPKCEASA-N
SMILES:
OC[C@@H]1CCO[C@H]1c1cnn(c1)C
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
182.106g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties