Home Other Building Blocks rac-4-ethyl-3-[(2R,3R)-3-phenyloxolan-2-yl]-4,5-dihydro-1H-1,2,4-triazol-5-one, cis

rac-4-ethyl-3-[(2R,3R)-3-phenyloxolan-2-yl]-4,5-dihydro-1H-1,2,4-triazol-5-one, cis

CAS No.:
2059914-31-5
Catalog Number:
AG01C46R
Molecular Formula:
C14H17N3O2
Molecular Weight:
259.3037
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01C46R
Chemical Name:
rac-4-ethyl-3-[(2R,3R)-3-phenyloxolan-2-yl]-4,5-dihydro-1H-1,2,4-triazol-5-one, cis
CAS Number:
2059914-31-5
Molecular Formula:
C14H17N3O2
Molecular Weight:
259.3037
MDL Number:
MFCD29764270
IUPAC Name:
4-ethyl-3-[(2R,3R)-3-phenyloxolan-2-yl]-1H-1,2,4-triazol-5-one
InChI:
InChI=1S/C14H17N3O2/c1-2-17-13(15-16-14(17)18)12-11(8-9-19-12)10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3,(H,16,18)/t11-,12-/m1/s1
InChI Key:
NVZNGTHTZCQDFN-VXGBXAGGSA-N
SMILES:
CCn1c(=O)[nH]nc1[C@@H]1OCC[C@@H]1c1ccccc1
Properties
Complexity:
377  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
259.132g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
259.309g/mol
Monoisotopic Mass:
259.132g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
53.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties