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16106-01-7 | 3,6-Dodecadienoic acid, methyl ester
CAS No: 16106-01-7 Catalog No: AG001VM1 MDL No:
Product Description
Catalog Number:
AG001VM1
Chemical Name:
3,6-Dodecadienoic acid, methyl ester
CAS Number:
16106-01-7
Molecular Formula:
C13H22O2
Molecular Weight:
210.3126
IUPAC Name:
methyl dodeca-3,6-dienoate
InChI:
InChI=1S/C13H22O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h7-8,10-11H,3-6,9,12H2,1-2H3
InChI Key:
QOLQXDRXMBPSFD-UHFFFAOYSA-N
SMILES:
CCCCCC=CCC=CCC(=O)OC
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.162g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.317g/mol
Monoisotopic Mass:
210.162g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.1
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