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18993-09-4 | Undecanoic acid, 10-oxo-, methyl ester
CAS No: 18993-09-4 Catalog No: AG002E5G MDL No:
Product Description
Catalog Number:
AG002E5G
Chemical Name:
Undecanoic acid, 10-oxo-, methyl ester
CAS Number:
18993-09-4
Molecular Formula:
C12H22O3
Molecular Weight:
214.3013
IUPAC Name:
methyl 10-oxoundecanoate
InChI:
InChI=1S/C12H22O3/c1-11(13)9-7-5-3-4-6-8-10-12(14)15-2/h3-10H2,1-2H3
InChI Key:
TXRMRSKJQBFMRQ-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCCCC(=O)C
EC Number:
606-194-9
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.157g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.305g/mol
Monoisotopic Mass:
214.157g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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