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83439-42-3 | 2,6-Heptadienoic acid, methyl ester
CAS No: 83439-42-3 Catalog No: AG0053ZP MDL No:
Product Description
Catalog Number:
AG0053ZP
Chemical Name:
2,6-Heptadienoic acid, methyl ester
CAS Number:
83439-42-3
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
methyl hepta-2,6-dienoate
InChI:
InChI=1S/C8H12O2/c1-3-4-5-6-7-8(9)10-2/h3,6-7H,1,4-5H2,2H3
InChI Key:
GHDDNOPAVQADSN-UHFFFAOYSA-N
SMILES:
COC(=O)C=CCCC=C
Properties
Complexity:
136
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:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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