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69804-81-5 | 2,4-Hexadienoic acid, 4-methyl-, methyl ester, (Z,E)-
CAS No: 69804-81-5 Catalog No: AG005HO8 MDL No:
Product Description
Catalog Number:
AG005HO8
Chemical Name:
2,4-Hexadienoic acid, 4-methyl-, methyl ester, (Z,E)-
CAS Number:
69804-81-5
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
methyl 4-methylhexa-2,4-dienoate
InChI:
InChI=1S/C8H12O2/c1-4-7(2)5-6-8(9)10-3/h4-6H,1-3H3
InChI Key:
JMFWIGFFRXOYBK-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C\C(=C\C)\C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.2
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