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89186-12-9 | 10-Dodecenoic acid, 9,12-dioxo-, methyl ester
CAS No: 89186-12-9 Catalog No: AG003VQM MDL No:
Product Description
Catalog Number:
AG003VQM
Chemical Name:
10-Dodecenoic acid, 9,12-dioxo-, methyl ester
CAS Number:
89186-12-9
Molecular Formula:
C13H20O4
Molecular Weight:
240.2955
IUPAC Name:
methyl 9,12-dioxododec-10-enoate
InChI:
InChI=1S/C13H20O4/c1-17-13(16)10-6-4-2-3-5-8-12(15)9-7-11-14/h7,9,11H,2-6,8,10H2,1H3
InChI Key:
NZAZBXXLAVAPII-UHFFFAOYSA-N
SMILES:
O=CC=CC(=O)CCCCCCCC(=O)OC
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.299g/mol
Monoisotopic Mass:
240.136g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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