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89332-61-6 | 2(3H)-Oxazolone, 3-(12-hydroxy-1-oxododecyl)-
CAS No: 89332-61-6 Catalog No: AG003YEB MDL No:
Product Description
Catalog Number:
AG003YEB
Chemical Name:
2(3H)-Oxazolone, 3-(12-hydroxy-1-oxododecyl)-
CAS Number:
89332-61-6
Molecular Formula:
C15H25NO4
Molecular Weight:
283.3633
IUPAC Name:
3-(12-hydroxydodecanoyl)-1,3-oxazol-2-one
InChI:
InChI=1S/C15H25NO4/c17-12-9-7-5-3-1-2-4-6-8-10-14(18)16-11-13-20-15(16)19/h11,13,17H,1-10,12H2
InChI Key:
CDVPCRKJNAZQJW-UHFFFAOYSA-N
SMILES:
OCCCCCCCCCCCC(=O)n1ccoc1=O
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.178g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.368g/mol
Monoisotopic Mass:
283.178g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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