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678188-97-1 | 2-Oxazolidinone,4-(1-methylethyl)-3-(1,2-propadien-1-yl)-, (4S)-
CAS No: 678188-97-1 Catalog No: AG005POU MDL No:
Product Description
Catalog Number:
AG005POU
Chemical Name:
2-Oxazolidinone,4-(1-methylethyl)-3-(1,2-propadien-1-yl)-, (4S)-
CAS Number:
678188-97-1
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
IUPAC Name:
(4S)-3-propa-1,2-dienyl-4-propan-2-yl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C9H13NO2/c1-4-5-10-8(7(2)3)6-12-9(10)11/h5,7-8H,1,6H2,2-3H3/t8-/m1/s1
InChI Key:
URQNYEMNBPCVPF-MRVPVSSYSA-N
SMILES:
CC([C@H]1COC(=O)N1C=C=C)C
Properties
Complexity:
229
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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