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

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

CAS No.:
1989638-04-1
Catalog Number:
AG01B6DE
Molecular Formula:
C11H18N2O2
Molecular Weight:
210.2728
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Product Description
Catalog Number:
AG01B6DE
Chemical Name:
rac-[(2R,3S)-2-(1-ethyl-1H-pyrazol-4-yl)oxan-3-yl]methanol, trans
CAS Number:
1989638-04-1
Molecular Formula:
C11H18N2O2
Molecular Weight:
210.2728
MDL Number:
MFCD30347907
IUPAC Name:
[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methanol
InChI:
InChI=1S/C11H18N2O2/c1-2-13-7-10(6-12-13)11-9(8-14)4-3-5-15-11/h6-7,9,11,14H,2-5,8H2,1H3/t9-,11-/m0/s1
InChI Key:
WVNNLBHPEQBZEI-ONGXEEELSA-N
SMILES:
OC[C@@H]1CCCO[C@H]1c1cnn(c1)CC
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
210.137g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.277g/mol
Monoisotopic Mass:
210.137g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties