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80697-93-4 | (S)-4-(1-Isopropyl)-3-(1-oxobutyl)-2-oxazolidinone
CAS No: 80697-93-4 Catalog No: AG0058PB MDL No:
Product Description
Catalog Number:
AG0058PB
Chemical Name:
(S)-4-(1-Isopropyl)-3-(1-oxobutyl)-2-oxazolidinone
CAS Number:
80697-93-4
Molecular Formula:
C10H17NO3
Molecular Weight:
199.2469
IUPAC Name:
(4S)-3-butanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C10H17NO3/c1-4-5-9(12)11-8(7(2)3)6-14-10(11)13/h7-8H,4-6H2,1-3H3/t8-/m1/s1
InChI Key:
ROUBSHUEYGPLRH-MRVPVSSYSA-N
SMILES:
CCCC(=O)N1C(=O)OC[C@@H]1C(C)C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
199.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.25g/mol
Monoisotopic Mass:
199.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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