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76200-27-6 | 3,5-Hexadienoic acid, 4-methyl-, ethyl ester, (E)-
CAS No: 76200-27-6 Catalog No: AG005EYO MDL No:
Product Description
Catalog Number:
AG005EYO
Chemical Name:
3,5-Hexadienoic acid, 4-methyl-, ethyl ester, (E)-
CAS Number:
76200-27-6
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
ethyl 4-methylhexa-3,5-dienoate
InChI:
InChI=1S/C9H14O2/c1-4-8(3)6-7-9(10)11-5-2/h4,6H,1,5,7H2,2-3H3
InChI Key:
YCLGXWXYYRIXIN-UHFFFAOYSA-N
SMILES:
C/C(=C\CC(=O)OCC)/C=C
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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