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88577-04-2 | 5(4H)-Oxazolone, 4-(1-methylpropyl)-
CAS No: 88577-04-2 Catalog No: AG004DLM MDL No:
Product Description
Catalog Number:
AG004DLM
Chemical Name:
5(4H)-Oxazolone, 4-(1-methylpropyl)-
CAS Number:
88577-04-2
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
IUPAC Name:
4-butan-2-yl-4H-1,3-oxazol-5-one
InChI:
InChI=1S/C7H11NO2/c1-3-5(2)6-7(9)10-4-8-6/h4-6H,3H2,1-2H3
InChI Key:
GCEDXUIZLZHJOA-UHFFFAOYSA-N
SMILES:
CC(C1N=COC1=O)CC
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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