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88973-72-2 | 2,4-Hexadienoic acid, 2-(1-methylethoxy)ethyl ester, (E,E)-
CAS No: 88973-72-2 Catalog No: AG0046UR MDL No:
Product Description
Catalog Number:
AG0046UR
Chemical Name:
2,4-Hexadienoic acid, 2-(1-methylethoxy)ethyl ester, (E,E)-
CAS Number:
88973-72-2
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
IUPAC Name:
2-propan-2-yloxyethyl hexa-2,4-dienoate
InChI:
InChI=1S/C11H18O3/c1-4-5-6-7-11(12)14-9-8-13-10(2)3/h4-7,10H,8-9H2,1-3H3
InChI Key:
OEBRJHAHNKXYKE-UHFFFAOYSA-N
SMILES:
C/C=C/C=C/C(=O)OCCOC(C)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.262g/mol
Monoisotopic Mass:
198.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.2
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