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81838-85-9 | 2,4-Hexadienoic acid, 1,1-dimethylethyl ester, (2E,4E)-
CAS No: 81838-85-9 Catalog No: AG0056PT MDL No:
Product Description
Catalog Number:
AG0056PT
Chemical Name:
2,4-Hexadienoic acid, 1,1-dimethylethyl ester, (2E,4E)-
CAS Number:
81838-85-9
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
tert-butyl hexa-2,4-dienoate
InChI:
InChI=1S/C10H16O2/c1-5-6-7-8-9(11)12-10(2,3)4/h5-8H,1-4H3
InChI Key:
DWLJFWYRDKIGKW-UHFFFAOYSA-N
SMILES:
C/C=C/C=C/C(=O)OC(C)(C)C
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.6
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