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84254-86-4 | 3-METHYLPENTYL HEXANOATE
CAS No: 84254-86-4 Catalog No: AG005728 MDL No:
Product Description
Catalog Number:
AG005728
Chemical Name:
3-METHYLPENTYL HEXANOATE
CAS Number:
84254-86-4
Molecular Formula:
C12H24O2
Molecular Weight:
200.3178
IUPAC Name:
3-methylpentyl hexanoate
InChI:
InChI=1S/C12H24O2/c1-4-6-7-8-12(13)14-10-9-11(3)5-2/h11H,4-10H2,1-3H3
InChI Key:
SAMSOMFUNDLFFI-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)OCCC(CC)C
EC Number:
282-532-5
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.178g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.322g/mol
Monoisotopic Mass:
200.178g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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