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88092-48-2 | Undecanoic acid, 10-chloro-11-oxo-, methyl ester
CAS No: 88092-48-2 Catalog No: AG004EJL MDL No:
Product Description
Catalog Number:
AG004EJL
Chemical Name:
Undecanoic acid, 10-chloro-11-oxo-, methyl ester
CAS Number:
88092-48-2
Molecular Formula:
C12H21ClO3
Molecular Weight:
248.7463
IUPAC Name:
methyl 10-chloro-11-oxoundecanoate
InChI:
InChI=1S/C12H21ClO3/c1-16-12(15)9-7-5-3-2-4-6-8-11(13)10-14/h10-11H,2-9H2,1H3
InChI Key:
ZIUVSVTXVQWYLH-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCCCC(C=O)Cl
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.118g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.747g/mol
Monoisotopic Mass:
248.118g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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