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96930-49-3 | 2-Oxazolidinone, 4-(1-methylethyl)-3-(3-methyl-1-oxo-2-butenyl)-, (S)-
CAS No: 96930-49-3 Catalog No: AG005SGU MDL No:
Product Description
Catalog Number:
AG005SGU
Chemical Name:
2-Oxazolidinone, 4-(1-methylethyl)-3-(3-methyl-1-oxo-2-butenyl)-, (S)-
CAS Number:
96930-49-3
Molecular Formula:
C11H17NO3
Molecular Weight:
211.2576
IUPAC Name:
(4S)-3-(3-methylbut-2-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C11H17NO3/c1-7(2)5-10(13)12-9(8(3)4)6-15-11(12)14/h5,8-9H,6H2,1-4H3/t9-/m1/s1
InChI Key:
VYEVYERUTYFIBM-SECBINFHSA-N
SMILES:
CC(=CC(=O)N1C(=O)OC[C@@H]1C(C)C)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
211.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.261g/mol
Monoisotopic Mass:
211.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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