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5461-06-3 | N-CAPRYLIC ACID ISOBUTYL ESTER
CAS No: 5461-06-3 Catalog No: AG003SVC MDL No:MFCD00059444
Product Description
Catalog Number:
AG003SVC
Chemical Name:
N-CAPRYLIC ACID ISOBUTYL ESTER
CAS Number:
5461-06-3
MDL Number:
MFCD00059444
IUPAC Name:
2-methylpropyl octanoate
InChI:
InChI=1S/C12H24O2/c1-4-5-6-7-8-9-12(13)14-10-11(2)3/h11H,4-10H2,1-3H3
InChI Key:
CFQRBRGFNFRMBD-UHFFFAOYSA-N
EC Number:
226-744-8
UNII:
6GT8657GUF
NSC Number:
23943
Properties
Complexity:
141
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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