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111838-81-4 | 2-Oxazolidinone, 4,4-dimethyl-3-(1-oxo-2-propenyl)-
CAS No: 111838-81-4 Catalog No: AG0078N3 MDL No:
Product Description
Catalog Number:
AG0078N3
Chemical Name:
2-Oxazolidinone, 4,4-dimethyl-3-(1-oxo-2-propenyl)-
CAS Number:
111838-81-4
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
IUPAC Name:
4,4-dimethyl-3-prop-2-enoyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C8H11NO3/c1-4-6(10)9-7(11)12-5-8(9,2)3/h4H,1,5H2,2-3H3
InChI Key:
RDPLMLHGTKXGNW-UHFFFAOYSA-N
SMILES:
C=CC(=O)N1C(=O)OCC1(C)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.18g/mol
Monoisotopic Mass:
169.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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