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7774-44-9 | Cyclohexyl Isovalerate , 99%
CAS No: 7774-44-9 Catalog No: AG003P57 MDL No:MFCD00046351
Product Description
Catalog Number:
AG003P57
Chemical Name:
Cyclohexyl Isovalerate , 99%
CAS Number:
7774-44-9
MDL Number:
MFCD00046351
IUPAC Name:
cyclohexyl 3-methylbutanoate
InChI:
InChI=1S/C11H20O2/c1-9(2)8-11(12)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChI Key:
SQPOKBBCNZIWFI-UHFFFAOYSA-N
EC Number:
231-874-3
UNII:
6SQ3O6ST39
NSC Number:
147480
FEMA Number:
2355
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.146g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.279g/mol
Monoisotopic Mass:
184.146g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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