Home Carboxys rac-methyl (2R,3R)-2-(1H-pyrazol-4-yl)oxane-3-carboxylate, trans

rac-methyl (2R,3R)-2-(1H-pyrazol-4-yl)oxane-3-carboxylate, trans

CAS No.:
2059909-54-3
Catalog Number:
AG01BR07
Molecular Formula:
C10H14N2O3
Molecular Weight:
210.2298
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BR07
Chemical Name:
rac-methyl (2R,3R)-2-(1H-pyrazol-4-yl)oxane-3-carboxylate, trans
CAS Number:
2059909-54-3
Molecular Formula:
C10H14N2O3
Molecular Weight:
210.2298
MDL Number:
MFCD30530160
IUPAC Name:
methyl (2R,3R)-2-(1H-pyrazol-4-yl)oxane-3-carboxylate
InChI:
InChI=1S/C10H14N2O3/c1-14-10(13)8-3-2-4-15-9(8)7-5-11-12-6-7/h5-6,8-9H,2-4H2,1H3,(H,11,12)/t8-,9+/m1/s1
InChI Key:
KMBNOENZEHZKKU-BDAKNGLRSA-N
SMILES:
COC(=O)[C@@H]1CCCO[C@H]1c1c[nH]nc1
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
210.1g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.233g/mol
Monoisotopic Mass:
210.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties