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138752-67-7 | Pentanoic acid, 2-methyl-3-oxo-, octyl ester, (S)- (9CI)
CAS No: 138752-67-7 Catalog No: AG0019GO MDL No:
Product Description
Catalog Number:
AG0019GO
Chemical Name:
Pentanoic acid, 2-methyl-3-oxo-, octyl ester, (S)- (9CI)
CAS Number:
138752-67-7
Molecular Formula:
C14H26O3
Molecular Weight:
242.3544
IUPAC Name:
octyl 2-methyl-3-oxopentanoate
InChI:
InChI=1S/C14H26O3/c1-4-6-7-8-9-10-11-17-14(16)12(3)13(15)5-2/h12H,4-11H2,1-3H3
InChI Key:
OBTJFWWJXHCCGS-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)[C@H](C(=O)CC)C
Properties
Complexity:
224
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:
11
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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