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863032-08-0 | 2-Oxazolidinone, 4-ethyl-4-[2-(1-methyl-1H-pyrrol-2-yl)ethyl]-, (4R)-
CAS No: 863032-08-0 Catalog No: AG004RJ0 MDL No:
Product Description
Catalog Number:
AG004RJ0
Chemical Name:
2-Oxazolidinone, 4-ethyl-4-[2-(1-methyl-1H-pyrrol-2-yl)ethyl]-, (4R)-
CAS Number:
863032-08-0
Molecular Formula:
C12H18N2O2
Molecular Weight:
222.2835
IUPAC Name:
(4R)-4-ethyl-4-[2-(1-methylpyrrol-2-yl)ethyl]-1,3-oxazolidin-2-one
InChI:
InChI=1S/C12H18N2O2/c1-3-12(9-16-11(15)13-12)7-6-10-5-4-8-14(10)2/h4-5,8H,3,6-7,9H2,1-2H3,(H,13,15)/t12-/m1/s1
InChI Key:
RBIGVBDSLOGFTD-GFCCVEGCSA-N
SMILES:
CC[C@]1(COC(=O)N1)CCc1cccn1C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
222.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.288g/mol
Monoisotopic Mass:
222.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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