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87900-05-8 | Tridecanoic acid, 3-oxo-, methyl ester
CAS No: 87900-05-8 Catalog No: AG004FWM MDL No:
Product Description
Catalog Number:
AG004FWM
Chemical Name:
Tridecanoic acid, 3-oxo-, methyl ester
CAS Number:
87900-05-8
Molecular Formula:
C14H26O3
Molecular Weight:
242.3544
IUPAC Name:
methyl 3-oxotridecanoate
InChI:
InChI=1S/C14H26O3/c1-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17-2/h3-12H2,1-2H3
InChI Key:
MGQBBYDQFRXTMY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC(=O)CC(=O)OC
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.188g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.359g/mol
Monoisotopic Mass:
242.188g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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