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6624-71-1 | Dodecyl isobutyrate
CAS No: 6624-71-1 Catalog No: AG0036UN MDL No:MFCD00129690
Product Description
Catalog Number:
AG0036UN
Chemical Name:
Dodecyl isobutyrate
CAS Number:
6624-71-1
Molecular Formula:
C16H32O2
Molecular Weight:
256.4241
MDL Number:
MFCD00129690
IUPAC Name:
dodecyl 2-methylpropanoate
InChI:
InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3/h15H,4-14H2,1-3H3
InChI Key:
LDPLLPONRGVDGK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOC(=O)C(C)C
EC Number:
229-583-1
UNII:
02470X34WD
NSC Number:
53823
FEMA Number:
3452
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.24g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.43g/mol
Monoisotopic Mass:
256.24g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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