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143724-88-3 | 2,4-Undecadienoic acid, 3-methoxy-, (Z,E)- (9CI)
CAS No: 143724-88-3 Catalog No: AG001I9X MDL No:
Product Description
Catalog Number:
AG001I9X
Chemical Name:
2,4-Undecadienoic acid, 3-methoxy-, (Z,E)- (9CI)
CAS Number:
143724-88-3
Molecular Formula:
C12H20O3
Molecular Weight:
212.2854
IUPAC Name:
3-methoxyundeca-2,4-dienoic acid
InChI:
InChI=1S/C12H20O3/c1-3-4-5-6-7-8-9-11(15-2)10-12(13)14/h8-10H,3-7H2,1-2H3,(H,13,14)
InChI Key:
UBEILURWEKBGLJ-UHFFFAOYSA-N
SMILES:
CO/C(=C\C(=O)O)/C=C/CCCCCC
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.141g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.289g/mol
Monoisotopic Mass:
212.141g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.6
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