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139087-69-7 | Butanoic acid, 2-methylhexyl ester
CAS No: 139087-69-7 Catalog No: AG001A84 MDL No:
Product Description
Catalog Number:
AG001A84
Chemical Name:
Butanoic acid, 2-methylhexyl ester
CAS Number:
139087-69-7
Molecular Formula:
C11H22O2
Molecular Weight:
186.2912
IUPAC Name:
2-methylhexyl butanoate
InChI:
InChI=1S/C11H22O2/c1-4-6-8-10(3)9-13-11(12)7-5-2/h10H,4-9H2,1-3H3
InChI Key:
MNYTWASXBLKADD-UHFFFAOYSA-N
SMILES:
CCCCC(COC(=O)CCC)C
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.162g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.295g/mol
Monoisotopic Mass:
186.162g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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