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144222-75-3 | 3,4-Heptadienoic acid, 5-ethyl-, ethyl ester
CAS No: 144222-75-3 Catalog No: AG001J4P MDL No:
Product Description
Catalog Number:
AG001J4P
Chemical Name:
3,4-Heptadienoic acid, 5-ethyl-, ethyl ester
CAS Number:
144222-75-3
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
ethyl 5-ethylhepta-3,4-dienoate
InChI:
InChI=1S/C11H18O2/c1-4-10(5-2)8-7-9-11(12)13-6-3/h7H,4-6,9H2,1-3H3
InChI Key:
SYRDMURGPMSDGP-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC=C=C(CC)CC
Properties
Complexity:
204
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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