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132117-94-3 | 4-Hexenoic acid, 3-oxo-, 1,1-dimethylethyl ester, (4E)-
CAS No: 132117-94-3 Catalog No: AG001093 MDL No:
Product Description
Catalog Number:
AG001093
Chemical Name:
4-Hexenoic acid, 3-oxo-, 1,1-dimethylethyl ester, (4E)-
CAS Number:
132117-94-3
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
IUPAC Name:
tert-butyl 3-oxohex-4-enoate
InChI:
InChI=1S/C10H16O3/c1-5-6-8(11)7-9(12)13-10(2,3)4/h5-6H,7H2,1-4H3
InChI Key:
YBQWHQCHKADBAN-UHFFFAOYSA-N
SMILES:
C/C=C/C(=O)CC(=O)OC(C)(C)C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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